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5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid

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5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid
SpectraBase Compound ID 6MlJDiFepyg
InChI InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
InChIKey SEPCYCDQJZTPHO-UHFFFAOYSA-N
Mol Weight 204.63 g/mol
Molecular Formula C6H5ClN2O2S
Exact Mass 203.976026 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJVi5HuhC6i
Name 5-CHLORO-2-(METHYLTHIO)-PYRIMIDINE-4-CARBOXYLIC-ACID
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5ClN2O2S
InChI InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
InChIKey SEPCYCDQJZTPHO-UHFFFAOYSA-N
Literature Reference Author G.A.ELLER,W.HOLZER
Literature Reference Citation MOLECULES,12,60(2007)
Literature Reference DOI 10.3390/12010060
Solvent DMSO-D6
Source File Reference UWLU46347