Chem
J-GLOBAL ID：200907057111422399   Nikkaji number：J1.429.190C

(αS,βS)-α,β-Dimethyl-β-hydroxybenzenepropanoic acid ethyl ester

(αS,βS)-α,β-ジメチル-β-ヒドロキシベンゼンプロパン酸エチル
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： C13H18O3
Molecular formula furigana： C13-H18-O3
Molecular weight： 222.284
InChI： InChI=1S/C13H18O3/c1-4-16-12(14)10(2)13(3,15)11-8-6-5-7-9-11/h5-10,15H,4H2,1-3H3/t10-,13+/m1/s1
InChI key： PZTFVWFFIAHVSA-MFKMUULPSA-N
SMILES： CCOC(=O)[C@@H](C)[C@](C)(O)c1ccccc1
Systematic name  (3)：
  • (αS,βS)-α,β-ジメチル-β-ヒドロキシベンゼンプロパン酸エチル
  • エチル (2S,3S)-3-ヒドロキシ-2-メチル-3-フェニルブタノアート
  • ethyl (2S,3S)-3-hydroxy-2-methyl-3-phenylbutanoate
Other name (1)：
  • (αS,βS)-α,β-Dimethyl-β-hydroxybenzenepropanoic acid ethyl ester
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