Chem
J-GLOBAL ID：200907067266005510
Nikkaji number：J1.964.482K
(βS)-α-tert-Butyl-β-methylbenzeneethanol
(βS)-α-tert-ブチル-β-メチルベンゼンエタノール
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： C13H20O
Molecular formula furigana： C13-H20-O
Molecular weight： 192.302
InChI：
InChI=1S/C13H20O/c1-10(12(14)13(2,3)4)11-8-6-5-7-9-11/h5-10,12,14H,1-4H3/t10-,12?/m0/s1
InChI key：
RVANFQLQQPEJJM-NUHJPDEHSA-N
SMILES：
C[C@H](C(O)C(C)(C)C)c1ccccc1
Systematic name (3)：
- (βS)-α-tert-ブチル-β-メチルベンゼンエタノール
- (4S)-2,2-ジメチル-4-フェニルペンタン-3-オール
- (4S)-2,2-dimethyl-4-phenylpentan-3-ol
- (βS)-α-tert-Butyl-β-methylbenzeneethanol
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