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4-[2-(4-Methylphenyl)ethynyl]benzoic acid

View entire compound with spectra: 1 MS (GC)

4-[2-(4-Methylphenyl)ethynyl]benzoic acid
SpectraBase Compound ID BlpdZTXiB3R
InChI InChI=1S/C16H12O2/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17)18/h2-5,8-11H,1H3,(H,17,18)
InChIKey GRWSCFXYIDYQSC-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8YIKoa1jOZ
Name 4-[2-(4-Methylphenyl)ethynyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O2
InChI InChI=1S/C16H12O2/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17)18/h2-5,8-11H,1H3,(H,17,18)
InChIKey GRWSCFXYIDYQSC-UHFFFAOYSA-N
Molecular Weight 236.270 g/mol
SMILES OC(c1ccc(C#Cc2ccc(cc2)C)cc1)=O
SPLASH splash10-000i-0190000000-a2acc0fe98c8096df17a
Source of Spectrum CV-0-175-0
Synonyms 4-[2-(p-tolyl)ethynyl]benzoic acid
Wiley ID 849265