Chem
J-GLOBAL ID：201807016240809919   Nikkaji number：J3.687.690E

4-(1-Pentyne-1-yl)benzoic acid ethyl ester

4-(1-ペンチン-1-イル)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： C14H16O2
Molecular formula furigana： C14-H16-O2
Molecular weight： 216.280
InChI： InChI=1S/C14H16O2/c1-3-5-6-7-12-8-10-13(11-9-12)14(15)16-4-2/h8-11H,3-5H2,1-2H3
InChI key： YBSWAYDVEVJZFJ-UHFFFAOYSA-N
SMILES： CCCC#Cc1ccc(cc1)C(=O)OCC
Systematic name  (3)：
  • 4-(1-ペンチン-1-イル)安息香酸エチル
  • エチル 4-(ペンタ-1-イン-1-イル)ベンゾアート
  • ethyl 4-(pent-1-yn-1-yl)benzoate
Other name (1)：
  • 4-(1-Pentyne-1-yl)benzoic acid ethyl ester
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