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5-Cyano-4-methylsulfanyl-2-phenyl-1H-pyrimidin-6-one
SpectraBase Compound ID K3AZnG55RGN
InChI InChI=1S/C12H9N3OS/c1-17-12-9(7-13)11(16)14-10(15-12)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15,16)
InChIKey OUSBLYHTCSUCNF-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C12H9N3OS
Exact Mass 243.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pOqWWonBi6
Name 5-Cyano-4-methylsulfanyl-2-phenyl-1H-pyrimidin-6-one
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3OS
InChI InChI=1S/C12H9N3OS/c1-17-12-9(7-13)11(16)14-10(15-12)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15,16)
InChIKey OUSBLYHTCSUCNF-UHFFFAOYSA-N
Instrument Name JOEL DX-303
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2397
Molecular Weight 243.284 g/mol
SMILES N1C(=NC(=C(C1=O)C#N)SC)c1ccccc1
SPLASH splash10-0006-1940000000-cdd97690e6fb7b368615
Source of Spectrum Y-53-199-3
Wiley ID 1877571