Chem
J-GLOBAL ID:200907058685346590   Nikkaji number:J1.276.764A

Benzoic acid (S)-1,3-dimethylbutyl ester

安息香酸(S)-1,3-ジメチルブチル
Substance type:
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
Molecular formula: C13H18O2
Molecular formula furigana: C13-H18-O2
Molecular weight: 206.285
InChI: InChI=1S/C13H18O2/c1-10(2)9-11(3)15-13(14)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1
InChI key: WMNCKJFVKMDUJQ-NSHDSACASA-N
SMILES: CC(C)C[C@H](C)OC(=O)c1ccccc1
Systematic name  (3):
  • 安息香酸(S)-1,3-ジメチルブチル
  • (2S)-4-メチルペンタン-2-イル ベンゾアート
  • (2S)-4-methylpentan-2-yl benzoate
Other name (1):
  • Benzoic acid (S)-1,3-dimethylbutyl ester
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