3-[[3'-Carboxybenzyl)thio]methyl]benzoic Acid

SpectraBase Compound ID	DQBd97p5RFj
InChI	InChI=1S/C16H14O4S/c17-15(18)13-5-1-3-11(7-13)9-21-10-12-4-2-6-14(8-12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKey	SLGFGDGPGUCEQB-UHFFFAOYSA-N Google Search
Mol Weight	302.34 g/mol
Molecular Formula	C16H14O4S
Exact Mass	302.06128 g/mol

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SpectraBase Spectrum ID	LwsF8TMWCrw
Name	3-[[3'-Carboxybenzyl)thio]methyl]benzoic Acid
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H14O4S
InChI	InChI=1S/C16H14O4S/c17-15(18)13-5-1-3-11(7-13)9-21-10-12-4-2-6-14(8-12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKey	SLGFGDGPGUCEQB-UHFFFAOYSA-N
Molecular Weight	302.344 g/mol
SMILES	OC(c1cc(CSCc2cc(C(=O)O)ccc2)ccc1)=O
SPLASH	splash10-000i-3900000000-fb437be11449439f72e2
Source of Spectrum	J-58-6376-10
Synonyms	3-{[(3-carboxybenzyl)sulfanyl]methyl}benzoic acid 3-[[(3-carboxyphenyl)methylthio]methyl]benzoic acid 3-[(3-carboxyphenyl)methylsulfanylmethyl]benzoic acid
Wiley ID	1304494