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

SpectraBase Compound ID	EcATHPOhE0
InChI	InChI=1S/C16H12O3/c1-19-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16(17)18/h2-5,7-8,10-11H,1H3,(H,17,18)
InChIKey	JBESSAMNMIRLFB-UHFFFAOYSA-N Google Search
Mol Weight	252.27 g/mol
Molecular Formula	C16H12O3
Exact Mass	252.078644 g/mol

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SpectraBase Spectrum ID	1x3yqNFniGB
Name	2-[(4-methoxyphenyl)ethynyl]benzoic acid
Alternate Name(s)	2-((4-methoxyphenyl)ethynyl)benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H12O3
InChI	InChI=1S/C16H12O3/c1-19-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16(17)18/h2-5,7-8,10-11H,1H3,(H,17,18)
InChIKey	JBESSAMNMIRLFB-UHFFFAOYSA-N
Literature Reference DOI	10.1002/adsc.201000044
Molecular Weight	252.269 g/mol
SMILES	OC(c1c(C#Cc2ccc(cc2)OC)cccc1)=O
SPLASH	splash10-0udi-0090000000-499cde05a8d144694962
Source of Spectrum	ASC-354-133/SM43-39a
Wiley ID	1762608