Chem
J-GLOBAL ID：200907052874731315
Nikkaji number：J2.275.996E
2α-[(R)-α-Hydroxy-4-cyanobenzyl]cyclohexanone
2α-[(R)-α-ヒドロキシ-4-シアノベンジル]シクロヘキサノン
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
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
Molecular formula： C14H15NO2
Molecular formula furigana： C14-H15-N-O2
Molecular weight： 229.279
InChI：
InChI=1S/C14H15NO2/c15-9-10-5-7-11(8-6-10)14(17)12-3-1-2-4-13(12)16/h5-8,12,14,17H,1-4H2/t12-,14+/m1/s1
InChI key：
XIGKYYNFQYOADS-OCCSQVGLSA-N
SMILES：
O[C@H]([C@@H]1CCCCC1=O)c1ccc(cc1)C#N
Systematic name (15)：
- (2S)-2α-[(R)-α-ヒドロキシ-4-シアノベンジル]シクロヘキサノン
- 4-[(R)-[(1S)-2-オキソシクロヘキシル]ヒドロキシメチル]ベンゾニトリル
- (S)-2-[(R)-α-ヒドロキシ-4-シアノベンジル]シクロヘキサノン
- 4-[(R)-ヒドロキシ[(S)-2-オキソシクロヘキサン-1β-イル]メチル]ベンゾニトリル
- (2S)-2-[(αR)-α-ヒドロキシ-4-シアノベンジル]シクロヘキサノン
Show all
- (2S)-2α-[(R)-α-Hydroxy-4-cyanobenzyl]cyclohexanone
- 4-[(R)-[(1S)-2-Oxocyclohexyl]hydroxymethyl]benzonitrile
- (S)-2-[(R)-α-Hydroxy-4-cyanobenzyl]cyclohexanone
- 4-[(R)-Hydroxy[(S)-2-oxocyclohexane-1β-yl]methyl]benzonitrile
- (2S)-2-[(αR)-α-Hydroxy-4-cyanobenzyl]cyclohexanone
Show all
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