Chem
J-GLOBAL ID：200907096324190179
Nikkaji number：J671.573G
4-Oxo-5-methylhexanoic acid benzyl ester
4-オキソ-5-メチルヘキサン酸ベンジル
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： C14H18O3
Molecular formula furigana： C14-H18-O3
Molecular weight： 234.295
InChI：
InChI=1S/C14H18O3/c1-11(2)13(15)8-9-14(16)17-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChI key：
RHRNPNZEIHOTSO-UHFFFAOYSA-N
SMILES：
CC(C)C(=O)CCC(=O)OCc1ccccc1
Systematic name (3)：
- 4-オキソ-5-メチルヘキサン酸ベンジル
- ベンジル 5-メチル-4-オキソヘキサノアート
- benzyl 5-methyl-4-oxohexanoate
- 4-Oxo-5-methylhexanoic acid benzyl ester
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