Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.

346 – 360 of 2,846 results

346

Benzoylacetonitrile, 98+%

CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1

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Specifications

PubChem CID	64799
CAS	614-16-4
Molecular Weight (g/mol)	145.16
ChEBI	CHEBI:51855
MDL Number	MFCD00001942
SMILES	O=C(CC#N)C1=CC=CC=C1
Synonym	benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile
IUPAC Name	3-oxo-3-phenylpropanenitrile
InChI Key	ZJRCIQAMTAINCB-UHFFFAOYSA-N
Molecular Formula	C9H7NO

347

4-Acetylpyridine, 98%

CAS: 1122-54-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006433 InChI Key: WMQUKDQWMMOHSA-UHFFFAOYSA-N Synonym: 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 PubChem CID: 14282 IUPAC Name: 1-pyridin-4-ylethanone SMILES: CC(=O)C1=CC=NC=C1

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Specifications

PubChem CID	14282
CAS	1122-54-9
Molecular Weight (g/mol)	121.139
MDL Number	MFCD00006433
SMILES	CC(=O)C1=CC=NC=C1
Synonym	4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7
IUPAC Name	1-pyridin-4-ylethanone
InChI Key	WMQUKDQWMMOHSA-UHFFFAOYSA-N
Molecular Formula	C7H7NO

348

Methyl 4-chloroacetoacetate, 97%

CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl

Pricing & Availability
Specifications

PubChem CID	36240
CAS	32807-28-6
Molecular Weight (g/mol)	150.56
MDL Number	MFCD00000938
SMILES	COC(=O)CC(=O)CCl
Synonym	methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042
IUPAC Name	methyl 4-chloro-3-oxobutanoate
InChI Key	HFLMYYLFSNEOOT-UHFFFAOYSA-N
Molecular Formula	C5H7ClO3

349

2',5'-Dimethoxyacetophenone, 99%

CAS: 1201-38-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00008728 InChI Key: FAXUIYJKGGUCBO-UHFFFAOYSA-N Synonym: 2',5'-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethanone,2,5-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethan-1-one,ethanone, 1-2,5-dimethoxyphenyl,1-2,5-dimethoxyphenyl-ethanone,2-acetyl-1,4-dimethoxybenzene,acetophenone, 2',5'-dimethoxy,1-acetyl-2,5-dimethoxybenzene,pubchem13430 PubChem CID: 70991 IUPAC Name: 1-(2,5-dimethoxyphenyl)ethanone SMILES: COC1=CC=C(OC)C(=C1)C(C)=O

Pricing & Availability
Specifications

PubChem CID	70991
CAS	1201-38-3
Molecular Weight (g/mol)	180.20
MDL Number	MFCD00008728
SMILES	COC1=CC=C(OC)C(=C1)C(C)=O
Synonym	2',5'-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethanone,2,5-dimethoxyacetophenone,1-2,5-dimethoxyphenyl ethan-1-one,ethanone, 1-2,5-dimethoxyphenyl,1-2,5-dimethoxyphenyl-ethanone,2-acetyl-1,4-dimethoxybenzene,acetophenone, 2',5'-dimethoxy,1-acetyl-2,5-dimethoxybenzene,pubchem13430
IUPAC Name	1-(2,5-dimethoxyphenyl)ethanone
InChI Key	FAXUIYJKGGUCBO-UHFFFAOYSA-N
Molecular Formula	C10H12O3

350

3,4-Hexanedione, 96%

CAS: 4437-51-8 Molecular Formula: C₆H₁₀O₂ Molecular Weight (g/mol): 114.14 MDL Number: MFCD00010237 InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N Synonym: 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd PubChem CID: 62539 IUPAC Name: hexane-3,4-dione SMILES: CCC(=O)C(=O)CC

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Specifications

PubChem CID	62539
CAS	4437-51-8
Molecular Weight (g/mol)	114.14
MDL Number	MFCD00010237
SMILES	CCC(=O)C(=O)CC
Synonym	3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd
IUPAC Name	hexane-3,4-dione
InChI Key	KVFQMAZOBTXCAZ-UHFFFAOYSA-N
Molecular Formula	C₆H₁₀O₂

351

4-Methoxyphenacyl chloride, 97%

CAS: 2196-99-8 Molecular Formula: C₉H₉ClO₂ Molecular Weight (g/mol): 184.62 MDL Number: MFCD00216508 InChI Key: MCRINSAETDOKDE-UHFFFAOYSA-N Synonym: 2-chloro-1-4-methoxyphenyl ethanone,4-methoxyphenacyl chloride,2-chloro-4'-methoxyacetophenone,2-chloro-4'-methoxylphacetone,4-methoxyphenacylchloride,2-chloro-1-4-methoxy-phenyl-ethanone,2-chloro-1-4-methoxyphenyl ethan-1-one,ethanone, 2-chloro-1-4-methoxyphenyl,4-chloroacetyl anisole,4'-methoxy-2-chloroacetophenone PubChem CID: 237806 IUPAC Name: 2-chloro-1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(=O)CCl

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Specifications

PubChem CID	237806
CAS	2196-99-8
Molecular Weight (g/mol)	184.62
MDL Number	MFCD00216508
SMILES	COC1=CC=C(C=C1)C(=O)CCl
Synonym	2-chloro-1-4-methoxyphenyl ethanone,4-methoxyphenacyl chloride,2-chloro-4'-methoxyacetophenone,2-chloro-4'-methoxylphacetone,4-methoxyphenacylchloride,2-chloro-1-4-methoxy-phenyl-ethanone,2-chloro-1-4-methoxyphenyl ethan-1-one,ethanone, 2-chloro-1-4-methoxyphenyl,4-chloroacetyl anisole,4'-methoxy-2-chloroacetophenone
IUPAC Name	2-chloro-1-(4-methoxyphenyl)ethanone
InChI Key	MCRINSAETDOKDE-UHFFFAOYSA-N
Molecular Formula	C₉H₉ClO₂

352

4'-Isobutylacetophenone, 97%

CAS: 38861-78-8 Molecular Formula: C₁₂H₁₆O Molecular Weight (g/mol): 176.26 InChI Key: KEAGRYYGYWZVPC-UHFFFAOYSA-N Synonym: 4'-isobutylacetophenone,4-isobutylacetophenone,p-iso-butylacetophenone,1-4-isobutylphenyl ethanone,p-isobutylacetophenone,ethanone, 1-4-2-methylpropyl phenyl,1-4-2-methylpropyl phenyl ethan-1-one,acetophenone, 4-isobutyl,1-4-2-methylpropyl phenyl ethanone,unii-aml715rd20 PubChem CID: 93214 IUPAC Name: 1-[4-(2-methylpropyl)phenyl]ethanone SMILES: CC(C)CC1=CC=C(C=C1)C(=O)C

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Specifications

PubChem CID	93214
CAS	38861-78-8
Molecular Weight (g/mol)	176.26
SMILES	CC(C)CC1=CC=C(C=C1)C(=O)C
Synonym	4'-isobutylacetophenone,4-isobutylacetophenone,p-iso-butylacetophenone,1-4-isobutylphenyl ethanone,p-isobutylacetophenone,ethanone, 1-4-2-methylpropyl phenyl,1-4-2-methylpropyl phenyl ethan-1-one,acetophenone, 4-isobutyl,1-4-2-methylpropyl phenyl ethanone,unii-aml715rd20
IUPAC Name	1-[4-(2-methylpropyl)phenyl]ethanone
InChI Key	KEAGRYYGYWZVPC-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₆O

353

Bromopyruvic acid, 97%

CAS: 1113-59-3 Molecular Formula: C3H3BrO3 Molecular Weight (g/mol): 166.958 MDL Number: MFCD00002587 InChI Key: PRRZDZJYSJLDBS-UHFFFAOYSA-N Synonym: 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid PubChem CID: 70684 IUPAC Name: 3-bromo-2-oxopropanoic acid SMILES: C(C(=O)C(=O)O)Br

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Specifications

PubChem CID	70684
CAS	1113-59-3
Molecular Weight (g/mol)	166.958
MDL Number	MFCD00002587
SMILES	C(C(=O)C(=O)O)Br
Synonym	3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid
IUPAC Name	3-bromo-2-oxopropanoic acid
InChI Key	PRRZDZJYSJLDBS-UHFFFAOYSA-N
Molecular Formula	C3H3BrO3

354

Ethyl 2,4-dioxo-4-(2-thienyl)butanoate, 90%, Thermo Scientific™

CAS: 36983-36-5 Molecular Formula: C10H10O4S Molecular Weight (g/mol): 226.246 MDL Number: MFCD00126316 InChI Key: GCCFYXYKJZUHMI-UHFFFAOYSA-N Synonym: ethyl 2,4-dioxo-4-thiophen-2-yl butanoate,ethyl 2,4-dioxo-4-2-thienyl butanoate,2,4-dioxo-4-thiophen-2-yl-butyric acid ethyl ester,2-thiophenebutanoicacid, a,g-dioxo-, ethyl ester,2,4-dioxo-4-2-thienyl butanoic acid ethyl ester,2,4-dioxo-4-thiophen-2-ylbutyric acid ethyl ester PubChem CID: 2799459 IUPAC Name: ethyl 2,4-dioxo-4-thiophen-2-ylbutanoate SMILES: CCOC(=O)C(=O)CC(=O)C1=CC=CS1

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Specifications

PubChem CID	2799459
CAS	36983-36-5
Molecular Weight (g/mol)	226.246
MDL Number	MFCD00126316
SMILES	CCOC(=O)C(=O)CC(=O)C1=CC=CS1
Synonym	ethyl 2,4-dioxo-4-thiophen-2-yl butanoate,ethyl 2,4-dioxo-4-2-thienyl butanoate,2,4-dioxo-4-thiophen-2-yl-butyric acid ethyl ester,2-thiophenebutanoicacid, a,g-dioxo-, ethyl ester,2,4-dioxo-4-2-thienyl butanoic acid ethyl ester,2,4-dioxo-4-thiophen-2-ylbutyric acid ethyl ester
IUPAC Name	ethyl 2,4-dioxo-4-thiophen-2-ylbutanoate
InChI Key	GCCFYXYKJZUHMI-UHFFFAOYSA-N
Molecular Formula	C10H10O4S

355

1-Phenyl-1,3-butanedione, Spectrum™ Chemical

CAS: 93-91-4

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Specifications

CAS	93-91-4

356

1,8-Diazafluoren-9-one

CAS: 54078-29-4 Molecular Formula: C₁₁H₆N₂O Molecular Weight (g/mol): 182.18 InChI Key: FOSUVSBKUIWVKI-UHFFFAOYSA-N Synonym: 9h-cyclopenta 1,2-b:4,3-b' dipyridin-9-one,1,8-diazafluoren-9-one,1,8-diazafluoran-9-one,9h-pyrido 3',2':3,4 cyclopenta 1,2-b pyridin-9-one,6,10-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2,4,6,10,12-hexaen-8-one,1.8-diazafluoren-9-one,9h-1,8-diazafluoren-9-one,fosuvsbkuiwvki-uhfffaoysa,pyridino 2',3'-1,5 cyclopenta 3,4-b pyridin-9-one,6,10-diazatricyclo 7.4.0.0^ 2,7 trideca-1 9 ,2,4,6,10,12-hexaen-8-one PubChem CID: 725961 SMILES: C1=CC2=C(C(=O)C3=C2C=CC=N3)N=C1

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Specifications

PubChem CID	725961
CAS	54078-29-4
Molecular Weight (g/mol)	182.18
SMILES	C1=CC2=C(C(=O)C3=C2C=CC=N3)N=C1
Synonym	9h-cyclopenta 1,2-b:4,3-b' dipyridin-9-one,1,8-diazafluoren-9-one,1,8-diazafluoran-9-one,9h-pyrido 3',2':3,4 cyclopenta 1,2-b pyridin-9-one,6,10-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2,4,6,10,12-hexaen-8-one,1.8-diazafluoren-9-one,9h-1,8-diazafluoren-9-one,fosuvsbkuiwvki-uhfffaoysa,pyridino 2',3'-1,5 cyclopenta 3,4-b pyridin-9-one,6,10-diazatricyclo 7.4.0.0^ 2,7 trideca-1 9 ,2,4,6,10,12-hexaen-8-one
InChI Key	FOSUVSBKUIWVKI-UHFFFAOYSA-N
Molecular Formula	C₁₁H₆N₂O

357

4'-Ethynylacetophenone, 98%

CAS: 42472-69-5 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD04974025 InChI Key: WHFPFLKZXFBCSO-UHFFFAOYSA-N PubChem CID: 5123626 IUPAC Name: 1-(4-ethynylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C#C

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Specifications

PubChem CID	5123626
CAS	42472-69-5
Molecular Weight (g/mol)	144.17
MDL Number	MFCD04974025
SMILES	CC(=O)C1=CC=C(C=C1)C#C
IUPAC Name	1-(4-ethynylphenyl)ethanone
InChI Key	WHFPFLKZXFBCSO-UHFFFAOYSA-N
Molecular Formula	C10H8O

358

4-Benzoylbutyric acid, 97%

CAS: 1501-05-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00004411 InChI Key: SHKWSBAVRQZYLE-UHFFFAOYSA-N Synonym: 4-benzoylbutyric acid,5-oxo-5-phenylvaleric acid,benzenepentanoic acid, .delta.-oxo,4-benzoyl-butyric acid,timtec-bb sbb007811,5-oxo-5-phenyl-pentanoic acid,4-benzoylbutyric acid;4-benzoylbutanoic acid,butanoic acid, 4-benzoyl,4-benzoylbutyricacid PubChem CID: 73914 IUPAC Name: 5-oxo-5-phenylpentanoic acid SMILES: C1=CC=C(C=C1)C(=O)CCCC(=O)O

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Specifications

PubChem CID	73914
CAS	1501-05-9
Molecular Weight (g/mol)	192.214
MDL Number	MFCD00004411
SMILES	C1=CC=C(C=C1)C(=O)CCCC(=O)O
Synonym	4-benzoylbutyric acid,5-oxo-5-phenylvaleric acid,benzenepentanoic acid, .delta.-oxo,4-benzoyl-butyric acid,timtec-bb sbb007811,5-oxo-5-phenyl-pentanoic acid,4-benzoylbutyric acid;4-benzoylbutanoic acid,butanoic acid, 4-benzoyl,4-benzoylbutyricacid
IUPAC Name	5-oxo-5-phenylpentanoic acid
InChI Key	SHKWSBAVRQZYLE-UHFFFAOYSA-N
Molecular Formula	C11H12O3

359

2-Bromo-1-(5-methyl-3-phenylisoxazol-4-yl)ethan-1-one, 97%, Thermo Scientific™

CAS: 104777-39-1 Molecular Formula: C12H10BrNO2 Molecular Weight (g/mol): 280.12 MDL Number: MFCD00173902 InChI Key: QKOOGOQWNSWJFQ-UHFFFAOYSA-N Synonym: 4-bromoacetyl-5-methyl-3-phenylisoxazole,2-bromo-1-5-methyl-3-phenylisoxazol-4-yl ethan-1-one,4-bromoacetyl-5-methyl-3-phenylisoxasole,ethanone,2-bromo-1-5-methyl-3-phenyl-4-isoxazolyl,2-bromo-1-5-methyl-3-phenyl-1,2-oxazol-4-yl ethan-1-one,2-bromo-1-5-methyl-3-phenyl-1,2-oxazol-4-yl ethanone,2-bromo-1-5-methyl-3-phenylisoxazol-4-yl ethanone,acmc-1c781 PubChem CID: 2735531 IUPAC Name: 2-bromo-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanone SMILES: CC1=C(C(=O)CBr)C(=NO1)C1=CC=CC=C1

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Specifications

PubChem CID	2735531
CAS	104777-39-1
Molecular Weight (g/mol)	280.12
MDL Number	MFCD00173902
SMILES	CC1=C(C(=O)CBr)C(=NO1)C1=CC=CC=C1
Synonym	4-bromoacetyl-5-methyl-3-phenylisoxazole,2-bromo-1-5-methyl-3-phenylisoxazol-4-yl ethan-1-one,4-bromoacetyl-5-methyl-3-phenylisoxasole,ethanone,2-bromo-1-5-methyl-3-phenyl-4-isoxazolyl,2-bromo-1-5-methyl-3-phenyl-1,2-oxazol-4-yl ethan-1-one,2-bromo-1-5-methyl-3-phenyl-1,2-oxazol-4-yl ethanone,2-bromo-1-5-methyl-3-phenylisoxazol-4-yl ethanone,acmc-1c781
IUPAC Name	2-bromo-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanone
InChI Key	QKOOGOQWNSWJFQ-UHFFFAOYSA-N
Molecular Formula	C12H10BrNO2

360

Bis(heptafluoroisopropyl)ketone, 97%

CAS: 813-44-5 Molecular Formula: C7F14O Molecular Weight (g/mol): 366.054 MDL Number: MFCD00042087 InChI Key: GRVMOMUDALILLH-UHFFFAOYSA-N Synonym: bis perfluoroisopropyl ketone,1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl pentan-3-one,bis perfluorisopropyl ketone,bis heptafluoroisopropyl ketone,3-pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl,perfluoroisopropyl ketone,bis heptafluoroisopropyl methanone,cf3 2cfc o cf cf3 2,3-hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-trifluoromethyl,tert-butyl 2-oxo-1-pyrrolidinecarboxylat PubChem CID: 69941 IUPAC Name: 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one SMILES: C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F

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Specifications

PubChem CID	69941
CAS	813-44-5
Molecular Weight (g/mol)	366.054
MDL Number	MFCD00042087
SMILES	C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F
Synonym	bis perfluoroisopropyl ketone,1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl pentan-3-one,bis perfluorisopropyl ketone,bis heptafluoroisopropyl ketone,3-pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl,perfluoroisopropyl ketone,bis heptafluoroisopropyl methanone,cf3 2cfc o cf cf3 2,3-hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-trifluoromethyl,tert-butyl 2-oxo-1-pyrrolidinecarboxylat
IUPAC Name	1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one
InChI Key	GRVMOMUDALILLH-UHFFFAOYSA-N
Molecular Formula	C7F14O

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1-Phenyl-1,3-butanedione, Spectrum™ Chemical