Chem
J-GLOBAL ID：200907002669501253
Nikkaji number：J695.412J
2-(4-tert-Butylbenzyl)-1,3-propanediol
2-(4-tert-ブチルベンジル)-1,3-プロパンジオール
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： C14H22O2
Molecular formula furigana： C14-H22-O2
Molecular weight： 222.328
InChI：
InChI=1S/C14H22O2/c1-14(2,3)13-6-4-11(5-7-13)8-12(9-15)10-16/h4-7,12,15-16H,8-10H2,1-3H3
InChI key：
ASVJAMMASGZXCV-UHFFFAOYSA-N
SMILES：
CC(C)(C)c1ccc(CC(CO)CO)cc1
Systematic name (3)：
- 2-(4-tert-ブチルベンジル)-1,3-プロパンジオール
- 2-[(4-tert-ブチルフェニル)メチル]プロパン-1,3-ジオール
- 2-[(4-tert-butylphenyl)methyl]propane-1,3-diol
- 2-(4-tert-Butylbenzyl)-1,3-propanediol
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