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2-Thiophenecarboxylic acid methyl ester

View entire compound with spectra: 24 NMR, and 12 MS (GC)

2-Thiophenecarboxylic acid methyl ester
SpectraBase Compound ID BBlvcaoroaZ
InChI InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey PGBFYLVIMDQYMS-UHFFFAOYSA-N
Mol Weight 142.17 g/mol
Molecular Formula C6H6O2S
Exact Mass 142.008851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHNmnaNCbmY
Name 2-Carboxymethyl-thiophene
CAS Registry Number 5380-42-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6O2S
InChI InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey PGBFYLVIMDQYMS-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference S. Gronowitz, I. Johnson, A.B. Hoernfeldt, Chemica Scripta 7, 84 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6