3-[hydroxy(phenyl)methyl]-2-thenoic acid

SpectraBase Compound ID	18MlQoTzmFa
InChI	InChI=1S/C12H10O3S/c13-10(8-4-2-1-3-5-8)9-6-7-16-11(9)12(14)15/h1-7,10,13H,(H,14,15)
InChIKey	XGULTPCWJKWODT-UHFFFAOYSA-N Google Search
Mol Weight	234.27 g/mol
Molecular Formula	C12H10O3S
Exact Mass	234.035065 g/mol

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SpectraBase Spectrum ID	9m2MwaROKw3
Name	3-[hydroxy(phenyl)methyl]-2-thenoic acid
Alternate Name(s)	3-[hydroxy(phenyl)methyl]-2-thiophenecarboxylic acid 3-[hydroxy(phenyl)methyl]thiophene-2-carboxylic acid 3-[oxidanyl(phenyl)methyl]thiophene-2-carboxylic acid
CAS Registry Number	62521-45-3
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H10O3S
InChI	InChI=1S/C12H10O3S/c13-10(8-4-2-1-3-5-8)9-6-7-16-11(9)12(14)15/h1-7,10,13H,(H,14,15)
InChIKey	XGULTPCWJKWODT-UHFFFAOYSA-N
Molecular Weight	234.269 g/mol
SMILES	OC(c1c(C(c2ccccc2)O)ccs1)=O
SPLASH	splash10-014i-0090000000-8c9377e32cbf38b796cb
Source of Spectrum	K-122-1127-10
Wiley ID	1235688