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4-(Carboxymethyl)-2-thiophen-carboxylic-acid
SpectraBase Compound ID 5cHkZ8SldIB
InChI InChI=1S/C7H6O4S/c8-6(9)2-4-1-5(7(10)11)12-3-4/h1,3H,2H2,(H,8,9)(H,10,11)
InChIKey GEHNKOIOHMIJNP-UHFFFAOYSA-N
Mol Weight 186.18 g/mol
Molecular Formula C7H6O4S
Exact Mass 185.99868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOxwZXNI1Ae
Name 4-(CARBOXYMETHYL)-2-THIOPHEN-CARBOXYLIC-ACID
CAS Registry Number 61854-96-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6O4S
InChI InChI=1S/C7H6O4S/c8-6(9)2-4-1-5(7(10)11)12-3-4/h1,3H,2H2,(H,8,9)(H,10,11)
InChIKey GEHNKOIOHMIJNP-UHFFFAOYSA-N
Literature Reference Author A.PERJESSY,M.JANDA,D.W.BOYKIN
Literature Reference Citation J.ORG.CHEM.,45,1366(1980)
Literature Reference DOI 10.1021/jo01296a004
Molecular Weight 186.182 g/mol
Solvent DMSO-D6
Source File Reference UNIW18696