Chem
J-GLOBAL ID：200907021475925340
Nikkaji number：J462.973F
Benzoic acid 2-oxohexyl ester
安息香酸2-オキソヘキシル
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： C13H16O3
Molecular formula furigana： C13-H16-O3
Molecular weight： 220.268
InChI：
InChI=1S/C13H16O3/c1-2-3-9-12(14)10-16-13(15)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChI key：
SDPMIODZDOMGTG-UHFFFAOYSA-N
SMILES：
CCCCC(=O)COC(=O)c1ccccc1
Systematic name (3)：
- 安息香酸2-オキソヘキシル
- 2-オキソヘキシル ベンゾアート
- 2-oxohexyl benzoate
- Benzoic acid 2-oxohexyl ester
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