Benzenoids
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3-Hydroxy-3'-nitro-2-naphthanilide 95.0+%, TCI America™
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CAS: 135-65-9 Molecular Formula: C17H12N2O4 Molecular Weight (g/mol): 308.29 MDL Number: MFCD00021637 InChI Key: YZJSKRBKHCLMQC-UHFFFAOYSA-N Synonym: 2-Hydroxy-3-naphthoic Acid m-Nitroanilide, Naphthol AS-BS, Azoic Coupling Component 17, 3-Hydroxy-N-(3-nitrophenyl)-2-naphthamide PubChem CID: 67277 IUPAC Name: 3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide SMILES: OC1=C(C=C2C=CC=CC2=C1)C(=O)NC1=CC=CC(=C1)[N+]([O-])=O
| PubChem CID | 67277 |
|---|---|
| CAS | 135-65-9 |
| Molecular Weight (g/mol) | 308.29 |
| MDL Number | MFCD00021637 |
| SMILES | OC1=C(C=C2C=CC=CC2=C1)C(=O)NC1=CC=CC(=C1)[N+]([O-])=O |
| Synonym | 2-Hydroxy-3-naphthoic Acid m-Nitroanilide, Naphthol AS-BS, Azoic Coupling Component 17, 3-Hydroxy-N-(3-nitrophenyl)-2-naphthamide |
| IUPAC Name | 3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide |
| InChI Key | YZJSKRBKHCLMQC-UHFFFAOYSA-N |
| Molecular Formula | C17H12N2O4 |
4-Methoxydiphenylamine 98.0+%, TCI America™
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CAS: 1208-86-2 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.25 MDL Number: MFCD00228649 InChI Key: OBHGSIGHEBGGFS-UHFFFAOYSA-N PubChem CID: 14581 IUPAC Name: 4-methoxy-N-phenylaniline SMILES: COC1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 14581 |
|---|---|
| CAS | 1208-86-2 |
| Molecular Weight (g/mol) | 199.25 |
| MDL Number | MFCD00228649 |
| SMILES | COC1=CC=C(NC2=CC=CC=C2)C=C1 |
| IUPAC Name | 4-methoxy-N-phenylaniline |
| InChI Key | OBHGSIGHEBGGFS-UHFFFAOYSA-N |
| Molecular Formula | C13H13NO |
2-Fluoro-6-(trifluoromethyl)benzaldehyde 98.0+%, TCI America™
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CAS: 60611-24-7 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.11 MDL Number: MFCD00061273 InChI Key: FAKUGVHRTLCKHB-UHFFFAOYSA-N Synonym: 2-fluoro-6-trifluoromethyl benzaldehyde,benzaldehyde, 2-fluoro-6-trifluoromethyl,alpha,alpha,alpha,6-tetrafluoro-o-tolualdehyde,pubchem4236,2-fluoro-6-trifluoromethyl-benzaldehyde,acmc-1b5by,otf-bad-6f,3-fluoro-2-formylbenzotrifluoride,attercop-chm at111495 PubChem CID: 521933 IUPAC Name: 2-fluoro-6-(trifluoromethyl)benzaldehyde SMILES: FC1=CC=CC(=C1C=O)C(F)(F)F
| PubChem CID | 521933 |
|---|---|
| CAS | 60611-24-7 |
| Molecular Weight (g/mol) | 192.11 |
| MDL Number | MFCD00061273 |
| SMILES | FC1=CC=CC(=C1C=O)C(F)(F)F |
| Synonym | 2-fluoro-6-trifluoromethyl benzaldehyde,benzaldehyde, 2-fluoro-6-trifluoromethyl,alpha,alpha,alpha,6-tetrafluoro-o-tolualdehyde,pubchem4236,2-fluoro-6-trifluoromethyl-benzaldehyde,acmc-1b5by,otf-bad-6f,3-fluoro-2-formylbenzotrifluoride,attercop-chm at111495 |
| IUPAC Name | 2-fluoro-6-(trifluoromethyl)benzaldehyde |
| InChI Key | FAKUGVHRTLCKHB-UHFFFAOYSA-N |
| Molecular Formula | C8H4F4O |
(2-Methylphenyl)(2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate 98.0+%, TCI America™
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CAS: 210823-54-4 Molecular Formula: C17H18F3IO3S Molecular Weight (g/mol): 486.288 MDL Number: MFCD20264884 InChI Key: QFMYCPNBAGXLDL-UHFFFAOYSA-M Synonym: Mesityl(o-tolyl)iodonium Triflate PubChem CID: 71311052 IUPAC Name: (2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate SMILES: CC1=CC=CC=C1[I+]C2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 71311052 |
|---|---|
| CAS | 210823-54-4 |
| Molecular Weight (g/mol) | 486.288 |
| MDL Number | MFCD20264884 |
| SMILES | CC1=CC=CC=C1[I+]C2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | Mesityl(o-tolyl)iodonium Triflate |
| IUPAC Name | (2-methylphenyl)-(2,4,6-trimethylphenyl)iodanium;trifluoromethanesulfonate |
| InChI Key | QFMYCPNBAGXLDL-UHFFFAOYSA-M |
| Molecular Formula | C17H18F3IO3S |
(R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether 98.0+%, TCI America™
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CAS: 943757-71-9 Molecular Formula: C20H27NOSi Molecular Weight (g/mol): 325.53 MDL Number: MFCD09265100 InChI Key: RSUHWMSTWSSNOW-UHFFFAOYNA-N Synonym: (R)-(+)-2-[Diphenyl(trimethylsilyloxy)methyl]pyrrolidine, alpha,alpha-Diphenyl-D-prolinol Trimethylsilyl Ether, (R)-Hayashi-Jorgensen Catalyst PubChem CID: 16218310 IUPAC Name: 2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine SMILES: C[Si](C)(C)OC(C1CCCN1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 16218310 |
|---|---|
| CAS | 943757-71-9 |
| Molecular Weight (g/mol) | 325.53 |
| MDL Number | MFCD09265100 |
| SMILES | C[Si](C)(C)OC(C1CCCN1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | (R)-(+)-2-[Diphenyl(trimethylsilyloxy)methyl]pyrrolidine, alpha,alpha-Diphenyl-D-prolinol Trimethylsilyl Ether, (R)-Hayashi-Jorgensen Catalyst |
| IUPAC Name | 2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine |
| InChI Key | RSUHWMSTWSSNOW-UHFFFAOYNA-N |
| Molecular Formula | C20H27NOSi |
Dimethyl 4-Nitrophthalate 98.0+%, TCI America™
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CAS: 610-22-0 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00017191 InChI Key: XWBDWELWBUWSNI-UHFFFAOYSA-N Synonym: dimethyl 4-nitrophthalate,dimethyl4-nitrophthalate,4-nitrophthalic acid dimethyl ester,dimethyl-4-nitrophthalate,1,2-benzenedicarboxylic acid, 4-nitro-, dimethyl ester,1,2-dimethyl 4-nitrophthalate,phthalic acid, 4-nitro-, dimethyl ester,1,2-benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester,4-nitrodimethylphthalate,5-nitroisophthyl acid dimethyl ester PubChem CID: 69119 IUPAC Name: 1,2-dimethyl 4-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=CC=C(C=C1C(=O)OC)[N+]([O-])=O
| PubChem CID | 69119 |
|---|---|
| CAS | 610-22-0 |
| Molecular Weight (g/mol) | 239.18 |
| MDL Number | MFCD00017191 |
| SMILES | COC(=O)C1=CC=C(C=C1C(=O)OC)[N+]([O-])=O |
| Synonym | dimethyl 4-nitrophthalate,dimethyl4-nitrophthalate,4-nitrophthalic acid dimethyl ester,dimethyl-4-nitrophthalate,1,2-benzenedicarboxylic acid, 4-nitro-, dimethyl ester,1,2-dimethyl 4-nitrophthalate,phthalic acid, 4-nitro-, dimethyl ester,1,2-benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester,4-nitrodimethylphthalate,5-nitroisophthyl acid dimethyl ester |
| IUPAC Name | 1,2-dimethyl 4-nitrobenzene-1,2-dicarboxylate |
| InChI Key | XWBDWELWBUWSNI-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |
2,6-Dibromo-4-nitrophenol 98.0+%, TCI America™
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CAS: 99-28-5 Molecular Formula: C6H3Br2NO3 Molecular Weight (g/mol): 296.902 MDL Number: MFCD00007334 InChI Key: WBHYZUAQCSHXCT-UHFFFAOYSA-N Synonym: 2,6-dibromo-4-nitrophenol,phenol, 2,6-dibromo-4-nitro,4-nitro-2,6-dibromophenol,2,6-dibromo-4-nitro-phenol,pubchem3863,acmc-209sc6,wln: wnr dq ce ee,phenol,6-dibromo-4-nitro,4-06-00-01366 beilstein handbook reference,2,6-dibromo-4-nitro-phenolate PubChem CID: 7429 SMILES: C1=C(C=C(C(=C1Br)O)Br)[N+](=O)[O-]
| PubChem CID | 7429 |
|---|---|
| CAS | 99-28-5 |
| Molecular Weight (g/mol) | 296.902 |
| MDL Number | MFCD00007334 |
| SMILES | C1=C(C=C(C(=C1Br)O)Br)[N+](=O)[O-] |
| Synonym | 2,6-dibromo-4-nitrophenol,phenol, 2,6-dibromo-4-nitro,4-nitro-2,6-dibromophenol,2,6-dibromo-4-nitro-phenol,pubchem3863,acmc-209sc6,wln: wnr dq ce ee,phenol,6-dibromo-4-nitro,4-06-00-01366 beilstein handbook reference,2,6-dibromo-4-nitro-phenolate |
| InChI Key | WBHYZUAQCSHXCT-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br2NO3 |
2,6-Naphthalenedicarboxylic Acid 98.0+%, TCI America™
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CAS: 1141-38-4 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.192 MDL Number: MFCD00004105 InChI Key: RXOHFPCZGPKIRD-UHFFFAOYSA-N Synonym: 2,6-naphthalenedicarboxylic acid,2,6-naphthalic acid,2,6-dicarboxynaphthalene,unii-k3c4dyz29o,2,6-naphthalene dicarboxylic acid,k3c4dyz29o,dsstox_cid_9211,acmc-2099kj,d06kmp,dsstox_rid_78711 PubChem CID: 14357 ChEBI: CHEBI:44460 IUPAC Name: naphthalene-2,6-dicarboxylic acid SMILES: C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C(=O)O
| PubChem CID | 14357 |
|---|---|
| CAS | 1141-38-4 |
| Molecular Weight (g/mol) | 216.192 |
| ChEBI | CHEBI:44460 |
| MDL Number | MFCD00004105 |
| SMILES | C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C(=O)O |
| Synonym | 2,6-naphthalenedicarboxylic acid,2,6-naphthalic acid,2,6-dicarboxynaphthalene,unii-k3c4dyz29o,2,6-naphthalene dicarboxylic acid,k3c4dyz29o,dsstox_cid_9211,acmc-2099kj,d06kmp,dsstox_rid_78711 |
| IUPAC Name | naphthalene-2,6-dicarboxylic acid |
| InChI Key | RXOHFPCZGPKIRD-UHFFFAOYSA-N |
| Molecular Formula | C12H8O4 |
4-(Diethoxymethyl)-trans-stilbene 98.0+%, TCI America™
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CAS: 381716-24-1 Molecular Formula: C19H22O2 Molecular Weight (g/mol): 282.38 MDL Number: MFCD02093470 InChI Key: LKUHPNYFNZOTGE-UHFFFAOYSA-N Synonym: 4-Formyl-trans-stilbene Diethyl Acetal PubChem CID: 70700030 IUPAC Name: 1-(diethoxymethyl)-4-(2-phenylethenyl)benzene SMILES: CCOC(OCC)C1=CC=C(C=CC2=CC=CC=C2)C=C1
| PubChem CID | 70700030 |
|---|---|
| CAS | 381716-24-1 |
| Molecular Weight (g/mol) | 282.38 |
| MDL Number | MFCD02093470 |
| SMILES | CCOC(OCC)C1=CC=C(C=CC2=CC=CC=C2)C=C1 |
| Synonym | 4-Formyl-trans-stilbene Diethyl Acetal |
| IUPAC Name | 1-(diethoxymethyl)-4-(2-phenylethenyl)benzene |
| InChI Key | LKUHPNYFNZOTGE-UHFFFAOYSA-N |
| Molecular Formula | C19H22O2 |
4-Bromo-2-iodophenol 98.0+%, TCI America™
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CAS: 207115-22-8 Molecular Formula: C6H4BrIO Molecular Weight (g/mol): 298.905 MDL Number: MFCD09029644 InChI Key: UXIULWIJWDJDQD-UHFFFAOYSA-N PubChem CID: 10924532 IUPAC Name: 4-bromo-2-iodophenol SMILES: C1=CC(=C(C=C1Br)I)O
| PubChem CID | 10924532 |
|---|---|
| CAS | 207115-22-8 |
| Molecular Weight (g/mol) | 298.905 |
| MDL Number | MFCD09029644 |
| SMILES | C1=CC(=C(C=C1Br)I)O |
| IUPAC Name | 4-bromo-2-iodophenol |
| InChI Key | UXIULWIJWDJDQD-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrIO |
Ethyl p-Anisate 99.0+%, TCI America™
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CAS: 94-30-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00015151 InChI Key: FHUODBDRWMIBQP-UHFFFAOYSA-N Synonym: ethyl p-anisate,ethyl anisate,ethyl p-methoxybenzoate,p-anisic acid, ethyl ester,benzoic acid, 4-methoxy-, ethyl ester,4-methoxybenzoic acid ethyl ester,benzoic acid, p-methoxy-, ethyl ester,ethyl p-anisoate,unii-kj95h2s7nm,p-anisic acid ethyl ester PubChem CID: 60979 IUPAC Name: ethyl 4-methoxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 60979 |
|---|---|
| CAS | 94-30-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00015151 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC |
| Synonym | ethyl p-anisate,ethyl anisate,ethyl p-methoxybenzoate,p-anisic acid, ethyl ester,benzoic acid, 4-methoxy-, ethyl ester,4-methoxybenzoic acid ethyl ester,benzoic acid, p-methoxy-, ethyl ester,ethyl p-anisoate,unii-kj95h2s7nm,p-anisic acid ethyl ester |
| IUPAC Name | ethyl 4-methoxybenzoate |
| InChI Key | FHUODBDRWMIBQP-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
5-Amino-2-methylbenzenesulfonamide 98.0+%, TCI America™
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CAS: 6973-09-7 Molecular Formula: C7H10N2O2S Molecular Weight (g/mol): 186.23 MDL Number: MFCD06681071 InChI Key: KTPBKMYOIFHJMI-UHFFFAOYSA-N Synonym: 3-amino-6-methylbenzenesulfonamide,2-methyl-5-aminobenzene sulfonamide,5-amino-2-methylbenzene-1-sulfonamide,benzenesulfonamide, 5-amino-2-methyl,5-amino-2-methyl-benzenesulfonamide,3-aminosulfonyl-4-methylaniline,pubchem14390,p-aminotoluol-sulfonamid,acmc-1bcyh,ksc495k6b PubChem CID: 235511 IUPAC Name: 5-amino-2-methylbenzenesulfonamide SMILES: CC1=C(C=C(C=C1)N)S(=O)(=O)N
| PubChem CID | 235511 |
|---|---|
| CAS | 6973-09-7 |
| Molecular Weight (g/mol) | 186.23 |
| MDL Number | MFCD06681071 |
| SMILES | CC1=C(C=C(C=C1)N)S(=O)(=O)N |
| Synonym | 3-amino-6-methylbenzenesulfonamide,2-methyl-5-aminobenzene sulfonamide,5-amino-2-methylbenzene-1-sulfonamide,benzenesulfonamide, 5-amino-2-methyl,5-amino-2-methyl-benzenesulfonamide,3-aminosulfonyl-4-methylaniline,pubchem14390,p-aminotoluol-sulfonamid,acmc-1bcyh,ksc495k6b |
| IUPAC Name | 5-amino-2-methylbenzenesulfonamide |
| InChI Key | KTPBKMYOIFHJMI-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2S |
(R)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine 97.0+%, TCI America™
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CAS: 112022-83-0 Molecular Formula: C18H20BNO Molecular Weight (g/mol): 277.17 MDL Number: MFCD00078440 InChI Key: VMKAFJQFKBASMU-QGZVFWFLSA-N Synonym: r-2-methyl-cbs-oxazaborolidine,r-methyl oxazaborolidine,r-+-2-methyl-cbs-oxazaborolidine,r-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,r-1-methyl-3,3-diphenylhexahydropyrrolo 1,2-c 1,3,2 oxazaborole,r-me-cbs catalyst,r-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,r-me cbs,r-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo 1,2-c 1,3,2 oxazaborole,corey's catalyst PubChem CID: 9838490 IUPAC Name: (3aR)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole SMILES: [H][C@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 9838490 |
|---|---|
| CAS | 112022-83-0 |
| Molecular Weight (g/mol) | 277.17 |
| MDL Number | MFCD00078440 |
| SMILES | [H][C@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | r-2-methyl-cbs-oxazaborolidine,r-methyl oxazaborolidine,r-+-2-methyl-cbs-oxazaborolidine,r-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,r-1-methyl-3,3-diphenylhexahydropyrrolo 1,2-c 1,3,2 oxazaborole,r-me-cbs catalyst,r-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,r-me cbs,r-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo 1,2-c 1,3,2 oxazaborole,corey's catalyst |
| IUPAC Name | (3aR)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole |
| InChI Key | VMKAFJQFKBASMU-QGZVFWFLSA-N |
| Molecular Formula | C18H20BNO |
2,3,6-Trichlorophenol 98.0+%, TCI America™
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CAS: 933-75-5 Molecular Formula: C6H3Cl3O Molecular Weight (g/mol): 197.439 MDL Number: MFCD00002165 InChI Key: XGCHAIDDPMFRLJ-UHFFFAOYSA-N Synonym: phenol, 2,3,6-trichloro,unii-ae2cmr564u,ccris 1937,ae2cmr564u,dsstox_cid_6209,dsstox_rid_78060,dsstox_gsid_26209,pubchem12938,acmc-209rle,2,3,6-trichloro-phenol PubChem CID: 13618 IUPAC Name: 2,3,6-trichlorophenol SMILES: C1=CC(=C(C(=C1Cl)O)Cl)Cl
| PubChem CID | 13618 |
|---|---|
| CAS | 933-75-5 |
| Molecular Weight (g/mol) | 197.439 |
| MDL Number | MFCD00002165 |
| SMILES | C1=CC(=C(C(=C1Cl)O)Cl)Cl |
| Synonym | phenol, 2,3,6-trichloro,unii-ae2cmr564u,ccris 1937,ae2cmr564u,dsstox_cid_6209,dsstox_rid_78060,dsstox_gsid_26209,pubchem12938,acmc-209rle,2,3,6-trichloro-phenol |
| IUPAC Name | 2,3,6-trichlorophenol |
| InChI Key | XGCHAIDDPMFRLJ-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl3O |
2-(3-Benzoylphenyl)propionitrile 98.0+%, TCI America™
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CAS: 42872-30-0 Molecular Formula: C16H13NO Molecular Weight (g/mol): 235.29 MDL Number: MFCD00044435 InChI Key: RGYOCHMZSLUCNP-UHFFFAOYNA-N Synonym: 3-(1-Cyanoethyl)benzophenone, 3-Benzoyl-alpha-methylphenylacetonitrile PubChem CID: 39325 IUPAC Name: 2-(3-benzoylphenyl)propanenitrile SMILES: CC(C#N)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 39325 |
|---|---|
| CAS | 42872-30-0 |
| Molecular Weight (g/mol) | 235.29 |
| MDL Number | MFCD00044435 |
| SMILES | CC(C#N)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1 |
| Synonym | 3-(1-Cyanoethyl)benzophenone, 3-Benzoyl-alpha-methylphenylacetonitrile |
| IUPAC Name | 2-(3-benzoylphenyl)propanenitrile |
| InChI Key | RGYOCHMZSLUCNP-UHFFFAOYNA-N |
| Molecular Formula | C16H13NO |