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CAS Number: 178742-95-5
ethyl 3-ethynylbenzoate

Structure

ethyl 3-ethynylbenzoate
Name: ethyl 3-ethynylbenzoate
Synonyms:
General Information
Product Number: 178742955
CAS Number:
178742-95-5
Name:
Benzoic acid, 3-ethynyl-, ethyl ester
 
Chemical Formula: C11H10O2
Exact Mass: 174.07
Molecular Weight: 174.20
m/z: 174.07 (100.0%), 175.07 (12.1%), 176.07 (1.1%)
Elemental Analysis: C, 75.84; H, 5.79; O, 18.37
 
InChI: InChI=1S/C11H10O2/c1-3-9-6-5-7-10(8-9)11(12)13-4-2/h1,5-8H,4H2,2H3
InChIKey: DIZFWJVCPSJKGW-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=CC(=C1)C#C

Specification

98%

References
  1. (1) Li, Jian-Rong; Nature Chemistry 2010, V2(10), P893-898 CAPLUS
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