Chem
J-GLOBAL ID：200907026649018846   Nikkaji number：J1.276.765J

Benzoic acid (S)-1-methylbutyl ester

安息香酸(S)-1-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： C12H16O2
Molecular formula furigana： C12-H16-O2
Molecular weight： 192.258
InChI： InChI=1S/C12H16O2/c1-3-7-10(2)14-12(13)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/t10-/m0/s1
InChI key： COTNRKBHSLVYBC-JTQLQIEISA-N
SMILES： CCC[C@H](C)OC(=O)c1ccccc1
Systematic name  (3)：
  • 安息香酸(S)-1-メチルブチル
  • (2S)-ペンタン-2-イル ベンゾアート
  • (2S)-pentan-2-yl benzoate
Other name (1)：
  • Benzoic acid (S)-1-methylbutyl ester
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