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2-Carboxymethyl-4-thiophen-carboxylic-acid
SpectraBase Compound ID DoUJobhJtPv
InChI InChI=1S/C7H6O4S/c8-6(9)2-5-1-4(3-12-5)7(10)11/h1,3H,2H2,(H,8,9)(H,10,11)
InChIKey WAXYVXDTBRWSDF-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 7IM3gG2Rp6g
Name 2-Carboxymethyl-4-thiophen-carboxylic-acid
CAS Registry Number 61855-03-6
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H6O4S
InChI InChI=1S/C7H6O4S/c8-6(9)2-5-1-4(3-12-5)7(10)11/h1,3H,2H2,(H,8,9)(H,10,11)
InChIKey WAXYVXDTBRWSDF-UHFFFAOYSA-N
Instrument Name SF = 060 MHz
Literature Reference J. Org. Chem. 45, 1366 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6