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5-METHOXYCARBONYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-4-ONE
SpectraBase Compound ID H7MtKjGltUE
InChI InChI=1S/C6H6N2O3S/c1-11-5(10)3-2-7-6(12)8-4(3)9/h2H,1H3,(H2,7,8,9,12)
InChIKey CJYDGJBWZGMCAG-UHFFFAOYSA-N
Mol Weight 186.18 g/mol
Molecular Formula C6H6N2O3S
Exact Mass 186.009913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2EpSEJQwZRb
Name 5-METHOXYCARBONYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-4-ONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6N2O3S
InChI InChI=1S/C6H6N2O3S/c1-11-5(10)3-2-7-6(12)8-4(3)9/h2H,1H3,(H2,7,8,9,12)
InChIKey CJYDGJBWZGMCAG-UHFFFAOYSA-N
Literature Reference Author C.LANDREAU,D.DENIAUD,A.RELIQUET,F.RELIQUET,J.C.MESLIN
Literature Reference Citation J.HETCYCL.CHEM.,38,93(2001)
Literature Reference DOI 10.1002/jhet.5570380113
Molecular Weight 186.185 g/mol
Solvent DMSO-D6
Source File Reference UWLU20942