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3-Methyl-2-thiophenecarboxylic acid

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 5 MS (GC)

3-Methyl-2-thiophenecarboxylic acid
SpectraBase Compound ID BqecTuH4xI9
InChI InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey IFLKEBSJTZGCJG-UHFFFAOYSA-N
Mol Weight 142.17 g/mol
Molecular Formula C6H6O2S
Exact Mass 142.008851 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9kag6OAyuhZ
Name 3-Methyl-2-thiophenecarboxylic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 248207
CAS Registry Number 23806-24-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O2S
InChI InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey IFLKEBSJTZGCJG-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004205