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2-THIOMETHYL-NICOTINIC-ACID

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2-THIOMETHYL-NICOTINIC-ACID
SpectraBase Compound ID B3jwIGNhcXT
InChI InChI=1S/C7H7NO2S/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)
InChIKey COPSJQVPEUUOKY-UHFFFAOYSA-N
Mol Weight 169.2 g/mol
Molecular Formula C7H7NO2S
Exact Mass 169.01975 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EyAdWTsOlsb
Name 2-(Methylthio)pyridine-3-carboxylic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 251089
CAS Registry Number 74470-23-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7NO2S
InChI InChI=1S/C7H7NO2S/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)
InChIKey COPSJQVPEUUOKY-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-(Methylthio)nicotinic acid
Wiley ID SIAL_13CNMR_004316