Chem
J-GLOBAL ID：200907047797686235
Nikkaji number：J591.723I
(S)-α,α-Dimethyl-β-hydroxybenzenepropionic acid ethyl ester
(S)-α,α-ジメチル-β-ヒドロキシベンゼンプロピオン酸エチル
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： C13H18O3
Molecular formula furigana： C13-H18-O3
Molecular weight： 222.284
InChI：
InChI=1S/C13H18O3/c1-4-16-12(15)13(2,3)11(14)10-8-6-5-7-9-10/h5-9,11,14H,4H2,1-3H3/t11-/m0/s1
InChI key：
OJOQOQPPMWKWGZ-NSHDSACASA-N
SMILES：
CCOC(=O)C(C)(C)[C@@H](O)c1ccccc1
Systematic name (6)：
- (S)-3-ヒドロキシ-2,2-ジメチル-3-フェニルプロピオン酸エチル
- (S)-2,2-ジメチル-3-ヒドロキシ-3-フェニルプロパン酸エチル
- (S)-2,2-ジメチル-3-ヒドロキシ-3-フェニルプロピオン酸エチル
- (S)-α,α-ジメチル-β-ヒドロキシベンゼンプロピオン酸エチル
- エチル (3S)-3-ヒドロキシ-2,2-ジメチル-3-フェニルプロパノアート
Show all
- (S)-2,2-Dimethyl-3-hydroxy-3-phenylpropanoic acid ethyl ester
- (S)-2,2-Dimethyl-3-hydroxy-3-phenylpropionic acid ethyl ester
- (S)-α,α-Dimethyl-β-hydroxybenzenepropionic acid ethyl ester
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