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3-Thiophenecarboxylic acid, 2-(hydroxyphenylmethyl)-, methyl ester
SpectraBase Compound ID F7Mjc2JsoGG
InChI InChI=1S/C13H12O3S/c1-16-13(15)10-7-8-17-12(10)11(14)9-5-3-2-4-6-9/h2-8,11,14H,1H3
InChIKey WKAQJENHKOWLIU-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C13H12O3S
Exact Mass 248.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EwVKu0xLTl
Name 3-Thiophenecarboxylic acid, 2-(hydroxyphenylmethyl)-, methyl ester
Alternate Name(s) Methyl 2-(.alpha.-hydroxybenzyl)thiophen-3-carboxylate Methyl 2-[hydroxy(phenyl)methyl]-3-thiophenecarboxylate
CAS Registry Number 86752-05-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O3S
InChI InChI=1S/C13H12O3S/c1-16-13(15)10-7-8-17-12(10)11(14)9-5-3-2-4-6-9/h2-8,11,14H,1H3
InChIKey WKAQJENHKOWLIU-UHFFFAOYSA-N
Molecular Weight 248.296 g/mol
SMILES OC(c1c(C(=O)OC)ccs1)c1ccccc1
SPLASH splash10-02t9-0890000000-abccf05267fac577bc43
Source of Spectrum KC-1983-794-0
Wiley ID 1250850