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2-Thiomethyl-4-thiophen-carboxylic-acid
SpectraBase Compound ID 4AuScrqLltY
InChI InChI=1S/C6H6O2S2/c7-6(8)4-1-5(2-9)10-3-4/h1,3,9H,2H2,(H,7,8)
InChIKey IFHTWOWZKQWIPS-UHFFFAOYSA-N
Mol Weight 174.23 g/mol
Molecular Formula C6H6O2S2
Exact Mass 173.980922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hgd6ZBMOXkm
Name 2-Thiomethyl-4-thiophen-carboxylic-acid
CAS Registry Number 61855-00-3
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6O2S2
InChI InChI=1S/C6H6O2S2/c7-6(8)4-1-5(2-9)10-3-4/h1,3,9H,2H2,(H,7,8)
InChIKey IFHTWOWZKQWIPS-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