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5-Cyano-2-(4-diphenylaminophenyl)-4-methylsulfanyl-1H-pyrimidin-6-one
SpectraBase Compound ID IEobc9DQqi9
InChI InChI=1S/C24H18N4OS/c1-30-24-21(16-25)23(29)26-22(27-24)17-12-14-20(15-13-17)28(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,26,27,29)
InChIKey PUOJKXPZHKUMNG-UHFFFAOYSA-N
Mol Weight 410.5 g/mol
Molecular Formula C24H18N4OS
Exact Mass 410.120132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dQwwOH9Qto
Name 5-Cyano-2-(4-diphenylaminophenyl)-4-methylsulfanyl-1H-pyrimidin-6-one
Appearance Yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N4OS
InChI InChI=1S/C24H18N4OS/c1-30-24-21(16-25)23(29)26-22(27-24)17-12-14-20(15-13-17)28(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3,(H,26,27,29)
InChIKey PUOJKXPZHKUMNG-UHFFFAOYSA-N
Instrument Name JOEL DX-303
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2397
Molecular Weight 410.495 g/mol
SMILES N1C(=NC(=C(C1=O)C#N)SC)c1ccc(cc1)N(c1ccccc1)c1ccccc1
SPLASH splash10-03di-2030900000-3ba4f8281ef7b5d7bb4f
Source of Spectrum Y-53-200-5e
Wiley ID 1877576