Chem
J-GLOBAL ID：201607018796491789   Nikkaji number：J3.508.899G

4-(3,3-Dimethyl-3-hydroxy-1-propynyl)benzoic acid ethyl ester

4-(3,3-ジメチル-3-ヒドロキシ-1-プロピニル)安息香酸エチル
Substance type：
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
Molecular formula： C14H16O3
Molecular formula furigana： C14-H16-O3
Molecular weight： 232.279
InChI： InChI=1S/C14H16O3/c1-4-17-13(15)12-7-5-11(6-8-12)9-10-14(2,3)16/h5-8,16H,4H2,1-3H3
InChI key： GMIVBWHJTDDLAH-UHFFFAOYSA-N
SMILES： CCOC(=O)c1ccc(cc1)C#CC(C)(C)O
Systematic name  (3)：
  • 4-(3,3-ジメチル-3-ヒドロキシ-1-プロピニル)安息香酸エチル
  • エチル 4-(3-ヒドロキシ-3-メチルブタ-1-イン-1-イル)ベンゾアート
  • ethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate
Other name (1)：
  • 4-(3,3-Dimethyl-3-hydroxy-1-propynyl)benzoic acid ethyl ester
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