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5-Cyano-4-methylsulfanyl-2-(4-phenylphenyl)-1H-pyrimidin-6-one
SpectraBase Compound ID GNiQgpAzXzb
InChI InChI=1S/C18H13N3OS/c1-23-18-15(11-19)17(22)20-16(21-18)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21,22)
InChIKey OJURYOCWQPMMLJ-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C18H13N3OS
Exact Mass 319.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJF4qsStZOZ
Name 5-Cyano-4-methylsulfanyl-2-(4-phenylphenyl)-1H-pyrimidin-6-one
Appearance Slight yellow leaflets
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3OS
InChI InChI=1S/C18H13N3OS/c1-23-18-15(11-19)17(22)20-16(21-18)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21,22)
InChIKey OJURYOCWQPMMLJ-UHFFFAOYSA-N
Instrument Name JOEL DX-303
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2397
Molecular Weight 319.382 g/mol
SMILES N1C(=NC(=C(C1=O)C#N)SC)c1ccc(cc1)-c1ccccc1
SPLASH splash10-00kf-6905000000-68a5ad2a1955a5b72e2d
Source of Spectrum Y-53-200-5h
Wiley ID 1877579