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2-(hexahydro-3-methyl-2-thioxo-1-pyrimidinyl)nicotinonitrile

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2-(hexahydro-3-methyl-2-thioxo-1-pyrimidinyl)nicotinonitrile
SpectraBase Compound ID DTate3panyU
InChI InChI=1S/C11H12N4S/c1-14-6-3-7-15(11(14)16)10-9(8-12)4-2-5-13-10/h2,4-5H,3,6-7H2,1H3
InChIKey LQXQYMSREUJLGS-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C11H12N4S
Exact Mass 232.078268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3gBjFHgfj1
Name 2-(3,4,5,6-TETRAHYDRO-3-METHYL-2-THIOXO-PYRIMIDIN-1(2H)-YL)-NICOTINO-NITRILE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N4S
InChI InChI=1S/C11H12N4S/c1-14-6-3-7-15(11(14)16)10-9(8-12)4-2-5-13-10/h2,4-5H,3,6-7H2,1H3
InChIKey LQXQYMSREUJLGS-UHFFFAOYSA-N
Literature Reference Author G.M.COPPOLA,M.J.SHAPIRO
Literature Reference Citation J.HETCYCL.CHEM.,18,495(1981)
Literature Reference DOI 10.1002/jhet.5570180310
Molecular Weight 232.303 g/mol
Solvent DMSO-D6
Source File Reference UWED7411