Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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136 – 150 of 119,933 results

136

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N-Methylbenzylamine, 97%

CAS: 103-67-3 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008289 InChI Key: RIWRFSMVIUAEBX-UHFFFAOYSA-N Synonym: n-methylbenzylamine,methylbenzylamine,n-benzylmethylamine,benzyl methyl amine,benzenemethanamine, n-methyl,benzylmethylamine,n-methy-n-benzylamine,n-benzyl-n-methylamine,benzylamine, n-methyl,n-methyl phenyl methanamine PubChem CID: 7669 IUPAC Name: N-methyl-1-phenylmethanamine SMILES: CNCC1=CC=CC=C1

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Specifications

PubChem CID	7669
CAS	103-67-3
Molecular Weight (g/mol)	121.18
MDL Number	MFCD00008289
SMILES	CNCC1=CC=CC=C1
Synonym	n-methylbenzylamine,methylbenzylamine,n-benzylmethylamine,benzyl methyl amine,benzenemethanamine, n-methyl,benzylmethylamine,n-methy-n-benzylamine,n-benzyl-n-methylamine,benzylamine, n-methyl,n-methyl phenyl methanamine
IUPAC Name	N-methyl-1-phenylmethanamine
InChI Key	RIWRFSMVIUAEBX-UHFFFAOYSA-N
Molecular Formula	C8H11N

137

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3-(Trifluoromethyl)benzaldehyde, 97%

CAS: 454-89-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00003373 InChI Key: NMTUHPSKJJYGML-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride PubChem CID: 67990 IUPAC Name: 3-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC(=C1)C(F)(F)F)C=O

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Specifications

PubChem CID	67990
CAS	454-89-7
Molecular Weight (g/mol)	174.122
MDL Number	MFCD00003373
SMILES	C1=CC(=CC(=C1)C(F)(F)F)C=O
Synonym	3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride
IUPAC Name	3-(trifluoromethyl)benzaldehyde
InChI Key	NMTUHPSKJJYGML-UHFFFAOYSA-N
Molecular Formula	C8H5F3O

138

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Bromobenzene, 99%

CAS: 108-86-1 Molecular Formula: C6H5Br Molecular Weight (g/mol): 157.01 MDL Number: MFCD00000055 InChI Key: QARVLSVVCXYDNA-UHFFFAOYSA-N Synonym: benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47 PubChem CID: 7961 ChEBI: CHEBI:3179 IUPAC Name: bromobenzene SMILES: BrC1=CC=CC=C1

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Specifications

PubChem CID	7961
CAS	108-86-1
Molecular Weight (g/mol)	157.01
ChEBI	CHEBI:3179
MDL Number	MFCD00000055
SMILES	BrC1=CC=CC=C1
Synonym	benzene, bromo,monobromobenzene,phenyl bromide,bromo-benzene,1-bromobenzene,phbr,bromo benzene,4-bromobenzene,unii-co4d5j547l,hsdb 47
IUPAC Name	bromobenzene
InChI Key	QARVLSVVCXYDNA-UHFFFAOYSA-N
Molecular Formula	C6H5Br

139

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2,3,4,5,6-Pentafluorostyrene, 98%, stab. with 250ppm 4-tert-butylcatechol

CAS: 653-34-9 Molecular Formula: C8H3F5 Molecular Weight (g/mol): 194.104 MDL Number: MFCD00000300 InChI Key: LVJZCPNIJXVIAT-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorostyrene,pentafluorostyrene,benzene, ethenylpentafluoro,1,2,3,4,5-pentafluoro-6-vinyl-benzene,2',3',4',5',6'-pentafluorostyrene,2-2,3,4,5,6-pentafluorophenyl ethyl,vinylpentafluorobenzene,acmc-1avmt,styrene, 2,3,4,5,6-pentafluoro,1,2,3,4,5-pentafluoro-6-vinylbenzene PubChem CID: 69556 IUPAC Name: 1-ethenyl-2,3,4,5,6-pentafluorobenzene SMILES: C=CC1=C(C(=C(C(=C1F)F)F)F)F

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Specifications

PubChem CID	69556
CAS	653-34-9
Molecular Weight (g/mol)	194.104
MDL Number	MFCD00000300
SMILES	C=CC1=C(C(=C(C(=C1F)F)F)F)F
Synonym	2,3,4,5,6-pentafluorostyrene,pentafluorostyrene,benzene, ethenylpentafluoro,1,2,3,4,5-pentafluoro-6-vinyl-benzene,2',3',4',5',6'-pentafluorostyrene,2-2,3,4,5,6-pentafluorophenyl ethyl,vinylpentafluorobenzene,acmc-1avmt,styrene, 2,3,4,5,6-pentafluoro,1,2,3,4,5-pentafluoro-6-vinylbenzene
IUPAC Name	1-ethenyl-2,3,4,5,6-pentafluorobenzene
InChI Key	LVJZCPNIJXVIAT-UHFFFAOYSA-N
Molecular Formula	C8H3F5

140

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Thermo Scientific Chemicals Crystal violet, ACS reagent

CAS: 548-62-9 | C₂₅H₃₀ClN₃ | 407.99 g/mol

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Specifications

Molecular Weight (g/mol)	407.99
ChEBI	CHEBI:41688
Grade	ACS Reagent
SMILES	CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]
Merck Index	15,443
InChI Key	ZXJXZNDDNMQXFV-UHFFFAOYSA-M
PubChem CID	11057
CAS	90-94-8
Health Hazard 3	GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if present and easy to do. Continue rinsing. Immediately call a POISON CENTER
Health Hazard 2	GHS H Statement Very toxic to aquatic life with long lasting effects. Harmful if swallowed. Causes serious eye damage. Suspected of causing cancer.
Solubility Information	Solubility in water: 16g/L (25°C). Other solubilities: soluble in chloroform,1g/10 mL alcohol,1g/15 mL glycerin,practically insoluble in ether
Health Hazard 1	GHS Signal Word: Danger
Synonym	crystal violet,gentian violet,basic violet 3,methylrosaniline chloride,aniline violet,hexamethyl violet,gentiaverm,hexamethylpararosaniline chloride,pyoktanin,adergon
IUPAC Name	[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride
Molecular Formula	C₂₅H₃₀ClN₃
EINECS Number	208-953-6
Formula Weight	407.99
Melting Point	173°C

141

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Benzyltriethylammonium chloride, 99%

CAS: 56-37-1 Molecular Formula: C13H22ClN Molecular Weight (g/mol): 227.78 MDL Number: MFCD00011824 InChI Key: HTZCNXWZYVXIMZ-UHFFFAOYSA-M Synonym: benzyltriethylammonium chloride,tebac,benzyl triethylammonium chloride,benzyl triethyl ammonium chloride,benzyltriethylammoniumchloride,triethylbenzylammonium chloride,bteac,teba,benzyltriethylazanium chloride,n-benzyl-n,n-diethylethanaminium chloride PubChem CID: 66133 IUPAC Name: benzyl(triethyl)azanium;chloride SMILES: [Cl-].CC[N+](CC)(CC)CC1=CC=CC=C1

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Specifications

PubChem CID	66133
CAS	56-37-1
Molecular Weight (g/mol)	227.78
MDL Number	MFCD00011824
SMILES	[Cl-].CC[N+](CC)(CC)CC1=CC=CC=C1
Synonym	benzyltriethylammonium chloride,tebac,benzyl triethylammonium chloride,benzyl triethyl ammonium chloride,benzyltriethylammoniumchloride,triethylbenzylammonium chloride,bteac,teba,benzyltriethylazanium chloride,n-benzyl-n,n-diethylethanaminium chloride
IUPAC Name	benzyl(triethyl)azanium;chloride
InChI Key	HTZCNXWZYVXIMZ-UHFFFAOYSA-M
Molecular Formula	C13H22ClN

142

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Benzyl benzoate, 99+%

CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N Synonym: ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate PubChem CID: 2345 ChEBI: CHEBI:41237 IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2345
CAS	120-51-4
Molecular Weight (g/mol)	212.25
ChEBI	CHEBI:41237
MDL Number	MFCD00003075
SMILES	O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
Synonym	ascabiol,benylate,novoscabin,benzoic acid, phenylmethyl ester,scabitox,scobenol,ascabin,benzyl phenylformate,benzoic acid, benzyl ester,phenylmethyl benzoate
IUPAC Name	benzyl benzoate
InChI Key	SESFRYSPDFLNCH-UHFFFAOYSA-N
Molecular Formula	C14H12O2

143

Di-n-butyl phthalate, 99+%

CAS: 84-74-2 Molecular Formula: C16H22O4 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00009441 InChI Key: DOIRQSBPFJWKBE-UHFFFAOYSA-N Synonym: dibutyl phthalate,di-n-butyl phthalate,n-butyl phthalate,butyl phthalate,celluflex dpb,elaol,genoplast b,palatinol c,polycizer dbp,unimoll db PubChem CID: 3026 ChEBI: CHEBI:34687 IUPAC Name: 1,2-dibutyl benzene-1,2-dicarboxylate SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC

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Specifications

PubChem CID	3026
CAS	84-74-2
Molecular Weight (g/mol)	278.35
ChEBI	CHEBI:34687
MDL Number	MFCD00009441
SMILES	CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
Synonym	dibutyl phthalate,di-n-butyl phthalate,n-butyl phthalate,butyl phthalate,celluflex dpb,elaol,genoplast b,palatinol c,polycizer dbp,unimoll db
IUPAC Name	1,2-dibutyl benzene-1,2-dicarboxylate
InChI Key	DOIRQSBPFJWKBE-UHFFFAOYSA-N
Molecular Formula	C16H22O4

144

Ethyl Benzoate, 99+%

CAS: 93-89-0 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00009109 InChI Key: MTZQAGJQAFMTAQ-UHFFFAOYSA-N Synonym: benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 PubChem CID: 7165 IUPAC Name: ethyl benzoate SMILES: CCOC(=O)C1=CC=CC=C1

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PubChem CID	7165
CAS	93-89-0
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00009109
SMILES	CCOC(=O)C1=CC=CC=C1
Synonym	benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422
IUPAC Name	ethyl benzoate
InChI Key	MTZQAGJQAFMTAQ-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₂

145

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2,6-Diisopropylaniline, 90+%

CAS: 24544-04-5 Molecular Formula: C12H19N Molecular Weight (g/mol): 177.291 MDL Number: MFCD00008887 InChI Key: WKBALTUBRZPIPZ-UHFFFAOYSA-N Synonym: 2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline PubChem CID: 32484 IUPAC Name: 2,6-di(propan-2-yl)aniline SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N

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Specifications

PubChem CID	32484
CAS	24544-04-5
Molecular Weight (g/mol)	177.291
MDL Number	MFCD00008887
SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)N
Synonym	2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline
IUPAC Name	2,6-di(propan-2-yl)aniline
InChI Key	WKBALTUBRZPIPZ-UHFFFAOYSA-N
Molecular Formula	C12H19N

146

Disodium terephthalate, 99+%

CAS: 10028-70-3 Molecular Formula: C8H4Na2O4 Molecular Weight (g/mol): 210.096 MDL Number: MFCD00013137 InChI Key: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonym: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? PubChem CID: 82305 IUPAC Name: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]

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Specifications

PubChem CID	82305
CAS	10028-70-3
Molecular Weight (g/mol)	210.096
MDL Number	MFCD00013137
SMILES	C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Synonym	disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:?
IUPAC Name	disodium;terephthalate
InChI Key	VIQSRHWJEKERKR-UHFFFAOYSA-L
Molecular Formula	C8H4Na2O4

147

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trans-Anethole, 99%

CAS: 4180-23-8 Molecular Formula: C₁₀H₁₂O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC

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Specifications

PubChem CID	637563
CAS	4180-23-8
Molecular Weight (g/mol)	148.2
ChEBI	CHEBI:35616
MDL Number	MFCD00009284
SMILES	CC=CC1=CC=C(C=C1)OC
Synonym	anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole
IUPAC Name	1-methoxy-4-[(E)-prop-1-enyl]benzene
InChI Key	RUVINXPYWBROJD-ONEGZZNKSA-N
Molecular Formula	C₁₀H₁₂O

148

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4,4'-Methylenebis(N,N-dimethylaniline), 98+%

CAS: 101-61-1 Molecular Formula: C17H22N2 Molecular Weight (g/mol): 254.377 MDL Number: MFCD00008317 InChI Key: JNRLEMMIVRBKJE-UHFFFAOYSA-N Synonym: 4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone PubChem CID: 7567 ChEBI: CHEBI:34370 IUPAC Name: 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline SMILES: CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C

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Specifications

PubChem CID	7567
CAS	101-61-1
Molecular Weight (g/mol)	254.377
ChEBI	CHEBI:34370
MDL Number	MFCD00008317
SMILES	CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
Synonym	4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone
IUPAC Name	4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
InChI Key	JNRLEMMIVRBKJE-UHFFFAOYSA-N
Molecular Formula	C17H22N2

149

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4-Bromobenzoic acid, 97%

CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: p-bromobenzoic acid,benzoic acid, 4-bromo,p-carboxybromobenzene,benzoic acid, p-bromo,p-bromobenzenecarboxylic acid,4-bromo-benzoic acid,4-brom-benzoesaeure,4-carboxybromobenzene,para bromo benzoic acid,4bromo-benzoic acid PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: OC(=O)C1=CC=C(Br)C=C1

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Specifications

PubChem CID	11464
CAS	586-76-5
Molecular Weight (g/mol)	201.02
ChEBI	CHEBI:60698
MDL Number	MFCD00002529
SMILES	OC(=O)C1=CC=C(Br)C=C1
Synonym	p-bromobenzoic acid,benzoic acid, 4-bromo,p-carboxybromobenzene,benzoic acid, p-bromo,p-bromobenzenecarboxylic acid,4-bromo-benzoic acid,4-brom-benzoesaeure,4-carboxybromobenzene,para bromo benzoic acid,4bromo-benzoic acid
IUPAC Name	4-bromobenzoic acid
InChI Key	TUXYZHVUPGXXQG-UHFFFAOYSA-N
Molecular Formula	C7H5BrO2

150

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4-Benzyloxy-3-methoxybenzaldehyde, 98%

CAS: 2426-87-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00003365 InChI Key: JSHLOPGSDZTEGQ-UHFFFAOYSA-N Synonym: 4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde PubChem CID: 75506 IUPAC Name: 3-methoxy-4-phenylmethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1

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Specifications

PubChem CID	75506
CAS	2426-87-1
Molecular Weight (g/mol)	242.27
MDL Number	MFCD00003365
SMILES	COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1
Synonym	4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde
IUPAC Name	3-methoxy-4-phenylmethoxybenzaldehyde
InChI Key	JSHLOPGSDZTEGQ-UHFFFAOYSA-N
Molecular Formula	C15H14O3

Benzene and substituted derivatives

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