Chem
J-GLOBAL ID：200907042032280140
Nikkaji number：J1.669.041D
3-Methyl-4-oxohexanenitrile
3-メチル-4-オキソヘキサンニトリル
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： C7H11NO
Molecular formula furigana： C7-H11-N-O
Molecular weight： 125.171
InChI：
InChI=1S/C7H11NO/c1-3-7(9)6(2)4-5-8/h6H,3-4H2,1-2H3
InChI key：
XATNDJOLZRTJDA-UHFFFAOYSA-N
SMILES：
CCC(=O)C(C)CC#N
Systematic name (2)：
- 3-メチル-4-オキソヘキサンニトリル
- 3-methyl-4-oxohexanenitrile
- 3-Methyl-4-oxohexanenitrile
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