Chem
J-GLOBAL ID：202007016987739829
Nikkaji number：J3.754.147H
4-[[4-tert-ブチルフェニル]エチニル]安息香酸エチル
4-[[4-tert-ブチルフェニル]エチニル]安息香酸エチル
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： C21H22O2
Molecular formula furigana： C21-H22-O2
Molecular weight： 306.405
InChI：
InChI=1S/C21H22O2/c1-5-23-20(22)18-12-8-16(9-13-18)6-7-17-10-14-19(15-11-17)21(2,3)4/h8-15H,5H2,1-4H3
InChI key：
VGOMZBOUHACYEW-UHFFFAOYSA-N
SMILES：
c1(C(=O)OCC)ccc(cc1)C#Cc1ccc(cc1)C(C)(C)C
Systematic name (3)：
- 4-[[4-tert-ブチルフェニル]エチニル]安息香酸エチル
- エチル4-[2-(4-tert-ブチルフェニル)エチニル]ベンゾアート
- ethyl 4-[2-(4-tert-butylphenyl)ethynyl]benzoate
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