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5-CYANO-6-METHYLTHIO-1,3-DIPHENYL-1H,3H-PYRIMIDIN-2,4-DIONE
SpectraBase Compound ID IHKNanVXy1P
InChI InChI=1S/C18H13N3O2S/c1-24-17-15(12-19)16(22)20(13-8-4-2-5-9-13)18(23)21(17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey BCMJMRJJKWJGRK-UHFFFAOYSA-N
Mol Weight 335.38 g/mol
Molecular Formula C18H13N3O2S
Exact Mass 335.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzILWs6WQvh
Name 5-CYANO-6-METHYLTHIO-1,3-DIPHENYL-1H,3H-PYRIMIDIN-2,4-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13N3O2S
InChI InChI=1S/C18H13N3O2S/c1-24-17-15(12-19)16(22)20(13-8-4-2-5-9-13)18(23)21(17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey BCMJMRJJKWJGRK-UHFFFAOYSA-N
Literature Reference Author M.GELBIN,D.MARTIN
Literature Reference Citation J.PRAKT.CHEM.,329,753(1987)
Literature Reference DOI 10.1002/prac.19873290502
Molecular Weight 335.380 g/mol
Solvent DMSO-D6
Source File Reference UWED14806