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1-(5-CYANO-6-METHYLTHIO-1,3-DIPHENYL-1H,3H-PYRIMIDIN-2-OXO-4-YLIDEN)-3-PHENYL-UREA
SpectraBase Compound ID 1f01VtBA0IA
InChI InChI=1S/C25H19N5O2S/c1-33-23-21(17-26)22(28-24(31)27-18-11-5-2-6-12-18)29(19-13-7-3-8-14-19)25(32)30(23)20-15-9-4-10-16-20/h2-16H,1H3,(H,27,31)/b28-22+
InChIKey OHWXIPIFPGWIBZ-XAYXJRQQSA-N
Mol Weight 453.52 g/mol
Molecular Formula C25H19N5O2S
Exact Mass 453.125946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EawqEYamENA
Name 1-(5-CYANO-6-METHYLTHIO-1,3-DIPHENYL-1H,3H-PYRIMIDIN-2-OXO-4-YLIDEN)-3-PHENYL-UREA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H19N5O2S
InChI InChI=1S/C25H19N5O2S/c1-33-23-21(17-26)22(28-24(31)27-18-11-5-2-6-12-18)29(19-13-7-3-8-14-19)25(32)30(23)20-15-9-4-10-16-20/h2-16H,1H3,(H,27,31)/b28-22+
InChIKey OHWXIPIFPGWIBZ-XAYXJRQQSA-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 453.518 g/mol
Solvent DMSO-D6
Source File Reference UWED14811