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3-Thiophenemalonic acid

View entire compound with spectra: 5 NMR, 3 FTIR, and 1 MS (GC)

3-Thiophenemalonic acid
SpectraBase Compound ID 2Ey7s0KYCkM
InChI InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)
InChIKey GCOOGCQWQFRJEK-UHFFFAOYSA-N
Mol Weight 186.18 g/mol
Molecular Formula C7H6O4S
Exact Mass 185.99868 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87w6Q9vcEqv
Name 3-Thiophenemalonic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 215317
CAS Registry Number 21080-92-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6O4S
InChI InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)
InChIKey GCOOGCQWQFRJEK-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha-Carboxythiophene-3-acetic acid; (3-Thienyl)malonic acid
Wiley ID SIAL_13CNMR_003082