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5-Cyano-4-methylsulfanyl-2-(1-naphthyl)-1H-pyrimidin-6-one
SpectraBase Compound ID 455RnWZHp2u
InChI InChI=1S/C16H11N3OS/c1-21-16-13(9-17)15(20)18-14(19-16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,18,19,20)
InChIKey VDVMVLMTXRUNSZ-UHFFFAOYSA-N
Mol Weight 293.34 g/mol
Molecular Formula C16H11N3OS
Exact Mass 293.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3x6UJrLYsxE
Name 5-Cyano-4-methylsulfanyl-2-(1-naphthyl)-1H-pyrimidin-6-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N3OS
InChI InChI=1S/C16H11N3OS/c1-21-16-13(9-17)15(20)18-14(19-16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,18,19,20)
InChIKey VDVMVLMTXRUNSZ-UHFFFAOYSA-N
Instrument Name JOEL DX-303
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2397
Molecular Weight 293.344 g/mol
SMILES N1C(=NC(=C(C1=O)C#N)SC)c1cccc2c1cccc2
SPLASH splash10-0006-0890000000-5a346c8ccce26f7cf74f
Source of Spectrum Y-53-200-5j
Wiley ID 1877581