Chem
J-GLOBAL ID：200907084948614420
Nikkaji number：J1.339.145I
4-(1-Hydroxyheptyl)benzoic acid tert-butyl ester
4-(1-ヒドロキシヘプチル)安息香酸tert-ブチル
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： C18H28O3
Molecular formula furigana： C18-H28-O3
Molecular weight： 292.419
InChI：
InChI=1S/C18H28O3/c1-5-6-7-8-9-16(19)14-10-12-15(13-11-14)17(20)21-18(2,3)4/h10-13,16,19H,5-9H2,1-4H3
InChI key：
XMMCJRPGCWNGOX-UHFFFAOYSA-N
SMILES：
CCCCCCC(O)c1ccc(cc1)C(=O)OC(C)(C)C
Systematic name (3)：
- 4-(1-ヒドロキシヘプチル)安息香酸tert-ブチル
- tert-ブチル 4-(1-ヒドロキシヘプチル)ベンゾアート
- tert-butyl 4-(1-hydroxyheptyl)benzoate
- 4-(1-Hydroxyheptyl)benzoic acid tert-butyl ester
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