Chem
J-GLOBAL ID：201307094292206876   Nikkaji number：J3.173.819I

4-(2β-Phenyl-5-oxocyclohexane-1α-yl)benzonitrile

4-(2β-フェニル-5-オキソシクロヘキサン-1α-イル)ベンゾニトリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C19H17NO
Molecular formula furigana： C19-H17-N-O
Molecular weight： 275.351
InChI： InChI=1S/C19H17NO/c20-13-14-6-8-16(9-7-14)19-12-17(21)10-11-18(19)15-4-2-1-3-5-15/h1-9,18-19H,10-12H2/t18-,19-/m1/s1
InChI key： IQYONKQKDKBLBH-RTBURBONSA-N
SMILES： O=C1CC[C@@H]([C@H](C1)c1ccc(cc1)C#N)c1ccccc1
Systematic name  (3)：
  • 4-(2β-フェニル-5-オキソシクロヘキサン-1α-イル)ベンゾニトリル
  • 4-[(1S,2S)-5-オキソ-2-フェニルシクロヘキシル]ベンゾニトリル
  • 4-[(1S,2S)-5-oxo-2-phenylcyclohexyl]benzonitrile
Other name (1)：
  • 4-(2β-Phenyl-5-oxocyclohexane-1α-yl)benzonitrile
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