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4-chloro-2-(methylthio)-5-pyrimidinecarboxylic acid, ethyl ester

View entire compound with spectra: 3 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

4-chloro-2-(methylthio)-5-pyrimidinecarboxylic acid, ethyl ester
SpectraBase Compound ID 9XDiYSJlctC
InChI InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3
InChIKey SNNHLSHDDGJVDM-UHFFFAOYSA-N
Mol Weight 232.68 g/mol
Molecular Formula C8H9ClN2O2S
Exact Mass 232.007326 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DkmDovHC1Fs
Name Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 145963
CAS Registry Number 5909-24-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9ClN2O2S
InChI InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3
InChIKey SNNHLSHDDGJVDM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_001355