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4-Thioethyl-2-thiophen-carboxylic-acid
SpectraBase Compound ID 87VQnV47CjG
InChI InChI=1S/C8H10O2S2/c1-2-11-4-6-3-7(8(9)10)12-5-6/h3,5H,2,4H2,1H3,(H,9,10)
InChIKey BREGKIXYRXYQOK-UHFFFAOYSA-N
Mol Weight 202.29 g/mol
Molecular Formula C8H10O2S2
Exact Mass 202.012222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42gpTiWCr1W
Name 4-Thioethyl-2-thiophen-carboxylic-acid
CAS Registry Number 61854-94-2
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H10O2S2
InChI InChI=1S/C8H10O2S2/c1-2-11-4-6-3-7(8(9)10)12-5-6/h3,5H,2,4H2,1H3,(H,9,10)
InChIKey BREGKIXYRXYQOK-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