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1-(4-BROMOPHENYL)-5-CYANO-2-(4-METHYLPHENOXY)-6-METHYLTHIO-1H-PYRIMIDIN-4-ONE
SpectraBase Compound ID BOtOtxVxpSq
InChI InChI=1S/C19H14BrN3O2S/c1-12-3-9-15(10-4-12)25-19-22-17(24)16(11-21)18(26-2)23(19)14-7-5-13(20)6-8-14/h3-10H,1-2H3
InChIKey OPHLSMUSKPQKOU-UHFFFAOYSA-N
Mol Weight 428.3 g/mol
Molecular Formula C19H14BrN3O2S
Exact Mass 426.999011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28vRHlEHnIc
Name 1-(4-BROMOPHENYL)-5-CYANO-2-(4-METHYLPHENOXY)-6-METHYLTHIO-1H-PYRIMIDIN-4-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14BrN3O2S
InChI InChI=1S/C19H14BrN3O2S/c1-12-3-9-15(10-4-12)25-19-22-17(24)16(11-21)18(26-2)23(19)14-7-5-13(20)6-8-14/h3-10H,1-2H3
InChIKey OPHLSMUSKPQKOU-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 428.303 g/mol
Solvent DMSO-D6
Source File Reference UWED14825