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4-Methylthio-thiophene-2-carboxylic acid, anion

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4-Methylthio-thiophene-2-carboxylic acid, anion
SpectraBase Compound ID JDWrjwTrP6Z
InChI InChI=1S/C6H6O2S2/c1-9-4-2-5(6(7)8)10-3-4/h2-3H,1H3,(H,7,8)/p-1
InChIKey NEODFWFSTQAKDS-UHFFFAOYSA-M
Mol Weight 173.22 g/mol
Molecular Formula C6H5O2S2
Exact Mass 172.973097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uQCW3pqjTx
Name 4-Methylthio-thiophene-2-carboxylic acid, anion
Comments sodium salt
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H5O2S2
InChI InChI=1S/C6H6O2S2/c1-9-4-2-5(6(7)8)10-3-4/h2-3H,1H3,(H,7,8)/p-1
InChIKey NEODFWFSTQAKDS-UHFFFAOYSA-M
Instrument Name Varian FT-80
Literature Reference R. Noto, L. Lamartina, C. Arnone, J. Chem. Soc. Perkin II 689 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD