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2-Bromomethyl-4-thiophen-carboxylic-acid
SpectraBase Compound ID JugLpuyByIw
InChI InChI=1S/C6H5BrO2S/c7-2-5-1-4(3-10-5)6(8)9/h1,3H,2H2,(H,8,9)
InChIKey QYDQFYYJFTYLKP-UHFFFAOYSA-N
Mol Weight 221.07 g/mol
Molecular Formula C6H5BrO2S
Exact Mass 219.919364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AX0fYCyl1kk
Name 2-Bromomethyl-4-thiophen-carboxylic-acid
CAS Registry Number 61854-97-5
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H5BrO2S
InChI InChI=1S/C6H5BrO2S/c7-2-5-1-4(3-10-5)6(8)9/h1,3H,2H2,(H,8,9)
InChIKey QYDQFYYJFTYLKP-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