Chem
J-GLOBAL ID：200907085205565855
Nikkaji number：J1.810.230G
4-Phenylbutanoic acid 2-cyanoethyl ester
4-フェニルブタン酸2-シアノエチル
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： C13H15NO2
Molecular formula furigana： C13-H15-N-O2
Molecular weight： 217.268
InChI：
InChI=1S/C13H15NO2/c14-10-5-11-16-13(15)9-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-9,11H2
InChI key：
HHJOPCMMURVCEF-UHFFFAOYSA-N
SMILES：
O=C(CCCc1ccccc1)OCCC#N
Systematic name (3)：
- 4-フェニルブタン酸2-シアノエチル
- 2-シアノエチル 4-フェニルブタノアート
- 2-cyanoethyl 4-phenylbutanoate
- 4-Phenylbutanoic acid 2-cyanoethyl ester
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