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(2-pyrimidinylthio)acetic acid

View entire compound with spectra: 3 NMR, and 2 FTIR

(2-pyrimidinylthio)acetic acid
SpectraBase Compound ID C2rSo1K0Jy8
InChI InChI=1S/C6H6N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)
InChIKey NIEOYUNNKKAQKI-UHFFFAOYSA-N
Mol Weight 170.19 g/mol
Molecular Formula C6H6N2O2S
Exact Mass 170.014999 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2uXQhPeObRd
Name (2-Pyrimidylthio)acetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 275530
CAS Registry Number 88768-45-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N2O2S
InChI InChI=1S/C6H6N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)
InChIKey NIEOYUNNKKAQKI-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_005008