Chem
J-GLOBAL ID：200907003513558448
Nikkaji number：J1.763.641C
Isopropyl[(S)-α-methylbenzyl] ketone
イソプロピル[(S)-α-メチルベンジル]ケトン
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： C12H16O
Molecular formula furigana： C12-H16-O
Molecular weight： 176.259
InChI：
InChI=1S/C12H16O/c1-9(2)12(13)10(3)11-7-5-4-6-8-11/h4-10H,1-3H3/t10-/m0/s1
InChI key：
PIHILDSKUZXCLF-JTQLQIEISA-N
SMILES：
CC(C)C(=O)[C@@H](C)c1ccccc1
Systematic name (3)：
- イソプロピル[(S)-α-メチルベンジル]ケトン
- (4S)-2-メチル-4-フェニルペンタン-3-オン
- (4S)-2-methyl-4-phenylpentan-3-one
- Isopropyl[(S)-α-methylbenzyl] ketone
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