Chem
J-GLOBAL ID：200907068992585084
Nikkaji number：J578.483B
(αS,βR)-α-Methyl-β-hydroxybenzenepropanoic acid ethyl ester
(αS,βR)-α-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 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： C12H16O3
Molecular formula furigana： C12-H16-O3
Molecular weight： 208.257
InChI：
InChI=1S/C12H16O3/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3/t9-,11+/m0/s1
InChI key：
DBYGIIOOKKCUKJ-GXSJLCMTSA-N
SMILES：
CCOC(=O)[C@@H](C)[C@@H](O)c1ccccc1
Systematic name (7)：
- (2S)-2-[(R)-α-ヒドロキシベンジル]プロピオン酸エチル
- (2S,3R)-3-ヒドロキシ-2-メチル-3-フェニルプロパン酸エチル
- (αS,βR)-α-メチル-β-ヒドロキシベンゼンプロパン酸エチル
- (2S,3R)-2-メチル-3-ヒドロキシ-3-フェニルプロパン酸エチル
- (2S,3R)-2-メチル-3-ヒドロキシ-3-フェニルプロピオン酸エチル
Show all
- (2S,3R)-3-Hydroxy-2-methyl-3-phenylpropanoic acid ethyl ester
- (αS,βR)-α-Methyl-β-hydroxybenzenepropanoic acid ethyl ester
- (2S,3R)-2-Methyl-3-hydroxy-3-phenylpropanoic acid ethyl ester
- (2S,3R)-2-Methyl-3-hydroxy-3-phenylpropionic acid ethyl ester
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