Carbonyl compounds
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2-Octen-4-one 96.0+%, TCI America™
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CAS: 4643-27-0 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00061023 InChI Key: FMDLEUPBHMCPQV-GQCTYLIASA-N Synonym: 2-octen-4-one,propenyl butyl ketone,butyl propenyl ketone,unii-c9nb51lmxt,2-octen-4-one natural,fema no. 3603,c9nb51lmxt,e-oct-2-en-4-one,2e-oct-2-en-4-one,2e-2-octen-4-one PubChem CID: 5365891 IUPAC Name: (E)-oct-2-en-4-one SMILES: CCCCC(=O)C=CC
| PubChem CID | 5365891 |
|---|---|
| CAS | 4643-27-0 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00061023 |
| SMILES | CCCCC(=O)C=CC |
| Synonym | 2-octen-4-one,propenyl butyl ketone,butyl propenyl ketone,unii-c9nb51lmxt,2-octen-4-one natural,fema no. 3603,c9nb51lmxt,e-oct-2-en-4-one,2e-oct-2-en-4-one,2e-2-octen-4-one |
| IUPAC Name | (E)-oct-2-en-4-one |
| InChI Key | FMDLEUPBHMCPQV-GQCTYLIASA-N |
| Molecular Formula | C8H14O |
3-Acetyl-2-(aminosulfonyl)-5-chlorothiophene 98.0+%, TCI America™
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CAS: 160982-10-5 Molecular Formula: C6H6ClNO3S2 Molecular Weight (g/mol): 239.69 MDL Number: MFCD09033309 InChI Key: ODLFFSHLXVZFPY-UHFFFAOYSA-N Synonym: 3-Acetyl-5-chloro-2-thiophenesulfonamide PubChem CID: 15294528 IUPAC Name: 3-acetyl-5-chlorothiophene-2-sulfonamide SMILES: CC(=O)C1=C(SC(Cl)=C1)S(N)(=O)=O
| PubChem CID | 15294528 |
|---|---|
| CAS | 160982-10-5 |
| Molecular Weight (g/mol) | 239.69 |
| MDL Number | MFCD09033309 |
| SMILES | CC(=O)C1=C(SC(Cl)=C1)S(N)(=O)=O |
| Synonym | 3-Acetyl-5-chloro-2-thiophenesulfonamide |
| IUPAC Name | 3-acetyl-5-chlorothiophene-2-sulfonamide |
| InChI Key | ODLFFSHLXVZFPY-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO3S2 |
2',4'-Dihydroxypropiophenone 98.0+%, TCI America™
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CAS: 5792-36-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002280 InChI Key: LLBBBYLDTDJMNU-UHFFFAOYSA-N Synonym: 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone PubChem CID: 79856 IUPAC Name: 1-(2,4-dihydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=C(C=C(C=C1)O)O
| PubChem CID | 79856 |
|---|---|
| CAS | 5792-36-9 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002280 |
| SMILES | CCC(=O)C1=C(C=C(C=C1)O)O |
| Synonym | 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone |
| IUPAC Name | 1-(2,4-dihydroxyphenyl)propan-1-one |
| InChI Key | LLBBBYLDTDJMNU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Diethyl sec-Butylmalonate 95.0+%, TCI America™
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CAS: 83-27-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00015194 InChI Key: MIIZSUOEOUHAIZ-UHFFFAOYSA-N Synonym: diethyl sec-butylmalonate,diethyl 2-sec-butyl malonate,sec-butylmalonic acid diethyl ester,diethyl 1-methylpropyl malonate,diethyl 1-methylpropylmalonate,sec-butylmalonic acid, diethyl ester,1,3-diethyl 2-sec-butyl propanedioate,diethyl s-butylmalonate,diethylsec-butylmalonate,acmc-209prt PubChem CID: 78940 IUPAC Name: diethyl 2-butan-2-ylpropanedioate SMILES: CCC(C)C(C(=O)OCC)C(=O)OCC
| PubChem CID | 78940 |
|---|---|
| CAS | 83-27-2 |
| Molecular Weight (g/mol) | 216.277 |
| MDL Number | MFCD00015194 |
| SMILES | CCC(C)C(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl sec-butylmalonate,diethyl 2-sec-butyl malonate,sec-butylmalonic acid diethyl ester,diethyl 1-methylpropyl malonate,diethyl 1-methylpropylmalonate,sec-butylmalonic acid, diethyl ester,1,3-diethyl 2-sec-butyl propanedioate,diethyl s-butylmalonate,diethylsec-butylmalonate,acmc-209prt |
| IUPAC Name | diethyl 2-butan-2-ylpropanedioate |
| InChI Key | MIIZSUOEOUHAIZ-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
4-Nitrobenzyl Acetoacetate 98.0+%, TCI America™
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CAS: 61312-84-3 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.211 MDL Number: MFCD00799237 InChI Key: KQPGVCMZXFBYMM-UHFFFAOYSA-N Synonym: Acetoacetic Acid 4-Nitrobenzyl Ester PubChem CID: 2760918 IUPAC Name: (4-nitrophenyl)methyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 2760918 |
|---|---|
| CAS | 61312-84-3 |
| Molecular Weight (g/mol) | 237.211 |
| MDL Number | MFCD00799237 |
| SMILES | CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | Acetoacetic Acid 4-Nitrobenzyl Ester |
| IUPAC Name | (4-nitrophenyl)methyl 3-oxobutanoate |
| InChI Key | KQPGVCMZXFBYMM-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO5 |
2-Methylindole-3-carboxaldehyde 98.0+%, TCI America™
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CAS: 5416-80-8 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00012077 InChI Key: CYZIVXOEJNAIBS-UHFFFAOYSA-N Synonym: 2-methylindole-3-carboxaldehyde,3-formyl-2-methylindole,2-methyl-3-formylindole,1h-indole-3-carboxaldehyde, 2-methyl,2-methylindole-3-carbaldehyde,indole-3-carboxaldehyde, 2-methyl,pubchem7437,zlchem 1339,acmc-1apkw,ksc271e8j PubChem CID: 73166 IUPAC Name: 2-methyl-1H-indole-3-carbaldehyde SMILES: CC1=C(C2=CC=CC=C2N1)C=O
| PubChem CID | 73166 |
|---|---|
| CAS | 5416-80-8 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00012077 |
| SMILES | CC1=C(C2=CC=CC=C2N1)C=O |
| Synonym | 2-methylindole-3-carboxaldehyde,3-formyl-2-methylindole,2-methyl-3-formylindole,1h-indole-3-carboxaldehyde, 2-methyl,2-methylindole-3-carbaldehyde,indole-3-carboxaldehyde, 2-methyl,pubchem7437,zlchem 1339,acmc-1apkw,ksc271e8j |
| IUPAC Name | 2-methyl-1H-indole-3-carbaldehyde |
| InChI Key | CYZIVXOEJNAIBS-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
3,4-Diethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 2029-94-9 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00016607 InChI Key: SSTRYEXQYQGGAS-UHFFFAOYSA-N PubChem CID: 74847 IUPAC Name: 3,4-diethoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)OCC
| PubChem CID | 74847 |
|---|---|
| CAS | 2029-94-9 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00016607 |
| SMILES | CCOC1=C(C=C(C=C1)C=O)OCC |
| IUPAC Name | 3,4-diethoxybenzaldehyde |
| InChI Key | SSTRYEXQYQGGAS-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Ethyl (3-Methoxybenzoyl)acetate 98.0+%, TCI America™
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CAS: 27834-99-7 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00086704 InChI Key: FDPPVAYPZOORBP-UHFFFAOYSA-N Synonym: (3-Methoxybenzoyl)acetic Acid Ethyl Ester, Ethyl 3-(3-Methoxyphenyl)-3-oxopropionate, 3-(3-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester PubChem CID: 2759696 IUPAC Name: ethyl 3-(3-methoxyphenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC(OC)=CC=C1
| PubChem CID | 2759696 |
|---|---|
| CAS | 27834-99-7 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00086704 |
| SMILES | CCOC(=O)CC(=O)C1=CC(OC)=CC=C1 |
| Synonym | (3-Methoxybenzoyl)acetic Acid Ethyl Ester, Ethyl 3-(3-Methoxyphenyl)-3-oxopropionate, 3-(3-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(3-methoxyphenyl)-3-oxopropanoate |
| InChI Key | FDPPVAYPZOORBP-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
Ethyl 3-Cyclohexyl-3-oxopropionate 98.0+%, TCI America™
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CAS: 15971-92-3 Molecular Formula: C11H18O3 Molecular Weight (g/mol): 198.262 MDL Number: MFCD04115574 InChI Key: ASYASKBLHYSMEG-UHFFFAOYSA-N Synonym: 3-Cyclohexyl-3-oxopropionic Acid Ethyl Ester PubChem CID: 266327 IUPAC Name: ethyl 3-cyclohexyl-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1CCCCC1
| PubChem CID | 266327 |
|---|---|
| CAS | 15971-92-3 |
| Molecular Weight (g/mol) | 198.262 |
| MDL Number | MFCD04115574 |
| SMILES | CCOC(=O)CC(=O)C1CCCCC1 |
| Synonym | 3-Cyclohexyl-3-oxopropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-cyclohexyl-3-oxopropanoate |
| InChI Key | ASYASKBLHYSMEG-UHFFFAOYSA-N |
| Molecular Formula | C11H18O3 |
2'-Chloro-4'-fluoroacetophenone 97.0+%, TCI America™
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CAS: 700-35-6 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.583 MDL Number: MFCD00042202 InChI Key: CSEMGLVHVZRXQF-UHFFFAOYSA-N Synonym: 1-2-chloro-4-fluorophenyl ethanone,2'-chloro-4'-fluoroacetophenone,2-chloro-4-fluoroacetophenone,1-2-chloro-4-fluorophenyl ethan-1-one,ethanone, 1-2-chloro-4-fluorophenyl,1-acetyl-2-chloro-4-fluorobenzene,pubchem4187,2-chloro-4-fluoracetophenone,ksc631o2l,4'-fluoro-2'-chloroacetophenone PubChem CID: 2736507 IUPAC Name: 1-(2-chloro-4-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)F)Cl
| PubChem CID | 2736507 |
|---|---|
| CAS | 700-35-6 |
| Molecular Weight (g/mol) | 172.583 |
| MDL Number | MFCD00042202 |
| SMILES | CC(=O)C1=C(C=C(C=C1)F)Cl |
| Synonym | 1-2-chloro-4-fluorophenyl ethanone,2'-chloro-4'-fluoroacetophenone,2-chloro-4-fluoroacetophenone,1-2-chloro-4-fluorophenyl ethan-1-one,ethanone, 1-2-chloro-4-fluorophenyl,1-acetyl-2-chloro-4-fluorobenzene,pubchem4187,2-chloro-4-fluoracetophenone,ksc631o2l,4'-fluoro-2'-chloroacetophenone |
| IUPAC Name | 1-(2-chloro-4-fluorophenyl)ethanone |
| InChI Key | CSEMGLVHVZRXQF-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO |
Buflomedil Hydrochloride 98.0+%, TCI America™
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CAS: 35543-24-9 Molecular Formula: C17H26ClNO4 Molecular Weight (g/mol): 343.848 MDL Number: MFCD00078965 InChI Key: ZDPACSAHMZADFZ-UHFFFAOYSA-N Synonym: 4-(1-Pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone Hydrochloride PubChem CID: 6420013 IUPAC Name: 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride SMILES: COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl
| PubChem CID | 6420013 |
|---|---|
| CAS | 35543-24-9 |
| Molecular Weight (g/mol) | 343.848 |
| MDL Number | MFCD00078965 |
| SMILES | COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl |
| Synonym | 4-(1-Pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone Hydrochloride |
| IUPAC Name | 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride |
| InChI Key | ZDPACSAHMZADFZ-UHFFFAOYSA-N |
| Molecular Formula | C17H26ClNO4 |
2',5'-Dichloroacetophenone 98.0+%, TCI America™
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CAS: 2476-37-1 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.035 MDL Number: MFCD00000607 InChI Key: CYNFEPKQDJHIMV-UHFFFAOYSA-N Synonym: 2',5'-dichloroacetophenone,1-2,5-dichlorophenyl ethanone,2,5-dichloroacetophenone,ethanone, 1-2,5-dichlorophenyl,acetophenone, 2',5'-dichloro,1-2,5-dichlorophenyl ethan-1-one,1-acetyl-2,5-dichlorobenzene,2,5-dichloracetophenon,pubchem10586,acmc-1cmfm PubChem CID: 75587 IUPAC Name: 1-(2,5-dichlorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)Cl)Cl
| PubChem CID | 75587 |
|---|---|
| CAS | 2476-37-1 |
| Molecular Weight (g/mol) | 189.035 |
| MDL Number | MFCD00000607 |
| SMILES | CC(=O)C1=C(C=CC(=C1)Cl)Cl |
| Synonym | 2',5'-dichloroacetophenone,1-2,5-dichlorophenyl ethanone,2,5-dichloroacetophenone,ethanone, 1-2,5-dichlorophenyl,acetophenone, 2',5'-dichloro,1-2,5-dichlorophenyl ethan-1-one,1-acetyl-2,5-dichlorobenzene,2,5-dichloracetophenon,pubchem10586,acmc-1cmfm |
| IUPAC Name | 1-(2,5-dichlorophenyl)ethanone |
| InChI Key | CYNFEPKQDJHIMV-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
3-Chloro-4-fluorophenacyl Bromide 98.0+%, TCI America™
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CAS: 63529-30-6 Molecular Formula: C8H5BrClFO Molecular Weight (g/mol): 251.48 MDL Number: MFCD05154991 InChI Key: JOCPGHGWUUBURW-UHFFFAOYSA-N Synonym: 2-bromo-1-3-chloro-4-fluorophenyl ethanone,2-bromo-3'-chloro-4'-fluoroacetophenone,3-chloro-4-fluorophenacyl bromide,2-bromo-1-3-chloro-4-fluorophenyl ethan-1-one,ethanone, 2-bromo-1-3-chloro-4-fluorophenyl,acmc-209ng8,3-chloro-4-fluoro-phenacyl bromide,2-bromo-3-chloro-4-fluoroacetophenone PubChem CID: 2782785 IUPAC Name: 2-bromo-1-(3-chloro-4-fluorophenyl)ethan-1-one SMILES: FC1=C(Cl)C=C(C=C1)C(=O)CBr
| PubChem CID | 2782785 |
|---|---|
| CAS | 63529-30-6 |
| Molecular Weight (g/mol) | 251.48 |
| MDL Number | MFCD05154991 |
| SMILES | FC1=C(Cl)C=C(C=C1)C(=O)CBr |
| Synonym | 2-bromo-1-3-chloro-4-fluorophenyl ethanone,2-bromo-3'-chloro-4'-fluoroacetophenone,3-chloro-4-fluorophenacyl bromide,2-bromo-1-3-chloro-4-fluorophenyl ethan-1-one,ethanone, 2-bromo-1-3-chloro-4-fluorophenyl,acmc-209ng8,3-chloro-4-fluoro-phenacyl bromide,2-bromo-3-chloro-4-fluoroacetophenone |
| IUPAC Name | 2-bromo-1-(3-chloro-4-fluorophenyl)ethan-1-one |
| InChI Key | JOCPGHGWUUBURW-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrClFO |
3-(4-Bromobenzoyl)propionic Acid 98.0+%, TCI America™
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CAS: 6340-79-0 Molecular Formula: C10H9BrO3 Molecular Weight (g/mol): 257.08 MDL Number: MFCD00016563 InChI Key: ZODFRCZNTXLDDW-UHFFFAOYSA-N Synonym: 3-4-bromobenzoyl propionic acid,4-4-bromophenyl-4-oxobutanoic acid,3-p-bromobenzoyl propionic acid,4-4-bromo-phenyl-4-oxo-butyric acid,3-4-bromobenzoyl propanoic acid,4-4-bromophenyl-4-oxobutyric acid,4-4-bromophenyl-4-oxo-butyric acid,4-4-bromophenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-bromo-gamma-oxo,4-bromo-gamma-oxo-benzenebutanoic acid PubChem CID: 80646 IUPAC Name: 4-(4-bromophenyl)-4-oxobutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 80646 |
|---|---|
| CAS | 6340-79-0 |
| Molecular Weight (g/mol) | 257.08 |
| MDL Number | MFCD00016563 |
| SMILES | OC(=O)CCC(=O)C1=CC=C(Br)C=C1 |
| Synonym | 3-4-bromobenzoyl propionic acid,4-4-bromophenyl-4-oxobutanoic acid,3-p-bromobenzoyl propionic acid,4-4-bromo-phenyl-4-oxo-butyric acid,3-4-bromobenzoyl propanoic acid,4-4-bromophenyl-4-oxobutyric acid,4-4-bromophenyl-4-oxo-butyric acid,4-4-bromophenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-bromo-gamma-oxo,4-bromo-gamma-oxo-benzenebutanoic acid |
| IUPAC Name | 4-(4-bromophenyl)-4-oxobutanoic acid |
| InChI Key | ZODFRCZNTXLDDW-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrO3 |
Benzyl 4-Chlorophenyl Ketone 98.0+%, TCI America™
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CAS: 1889-71-0 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00016342 InChI Key: DXVALSKCLLBZEB-UHFFFAOYSA-N Synonym: benzyl 4-chlorophenyl ketone,1-4-chlorophenyl-2-phenylethanone,4'-chloro-2-phenylacetophenone,4-chlorodeoxybenzoin,1-4-chlorophenyl-2-phenylethan-1-one,1-4-chlorophenyl-2-phenyl-ethanone,4-chlorodesoxy benzoin,chlorodeoxybenzoin,deoxy-4-chlorobenzoin,acmc-20a6by PubChem CID: 233840 IUPAC Name: 1-(4-chlorophenyl)-2-phenylethan-1-one SMILES: ClC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1
| PubChem CID | 233840 |
|---|---|
| CAS | 1889-71-0 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00016342 |
| SMILES | ClC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1 |
| Synonym | benzyl 4-chlorophenyl ketone,1-4-chlorophenyl-2-phenylethanone,4'-chloro-2-phenylacetophenone,4-chlorodeoxybenzoin,1-4-chlorophenyl-2-phenylethan-1-one,1-4-chlorophenyl-2-phenyl-ethanone,4-chlorodesoxy benzoin,chlorodeoxybenzoin,deoxy-4-chlorobenzoin,acmc-20a6by |
| IUPAC Name | 1-(4-chlorophenyl)-2-phenylethan-1-one |
| InChI Key | DXVALSKCLLBZEB-UHFFFAOYSA-N |
| Molecular Formula | C14H11ClO |