Chem
J-GLOBAL ID：200907000573793331
Nikkaji number：J1.651.699F
α,β-Dimethyl-γ-oxobenzenebutanenitrile
α,β-ジメチル-γ-オキソベンゼンブタンニトリル
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： C12H13NO
Molecular formula furigana： C12-H13-N-O
Molecular weight： 187.242
InChI：
InChI=1S/C12H13NO/c1-9(8-13)10(2)12(14)11-6-4-3-5-7-11/h3-7,9-10H,1-2H3
InChI key：
VTSRFHKTURAODT-UHFFFAOYSA-N
SMILES：
CC(C#N)C(C)C(=O)c1ccccc1
Systematic name (3)：
- 2,3-ジメチル-4-オキソ-4-フェニルブタンニトリル
- α,β-ジメチル-γ-オキソベンゼンブタンニトリル
- 2,3-dimethyl-4-oxo-4-phenylbutanenitrile
- 2,3-Dimethyl-4-oxo-4-phenylbutanenitrile
- α,β-Dimethyl-γ-oxobenzenebutanenitrile
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