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5-Cyano-1,3-methyl-4-oxo-6-phenyl-2-thioxohexahydropyrimidine
SpectraBase Compound ID LRsGMhYCOtA
InChI InChI=1S/C13H13N3OS/c1-15-11(9-6-4-3-5-7-9)10(8-14)12(17)16(2)13(15)18/h3-7,10-11H,1-2H3
InChIKey PZVHOUAUNFDBAD-UHFFFAOYSA-N
Mol Weight 259.33 g/mol
Molecular Formula C13H13N3OS
Exact Mass 259.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zRu8HZN0fy
Name 5-Cyano-1,3-methyl-4-oxo-6-phenyl-2-thioxohexahydropyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3OS
InChI InChI=1S/C13H13N3OS/c1-15-11(9-6-4-3-5-7-9)10(8-14)12(17)16(2)13(15)18/h3-7,10-11H,1-2H3
InChIKey PZVHOUAUNFDBAD-UHFFFAOYSA-N
Molecular Weight 259.327 g/mol
SMILES C1(N(C(C(C(N1C)c1ccccc1)C#N)=O)C)=S
SPLASH splash10-0aor-2890000000-a583bdecd905e881b558
Source of Spectrum H1-38-1085-2
Synonyms 1,3-Dimethyl-4-oxo-6-phenyl-2-thioxohexahydro-5-pyrimidinecarbonitrile
Wiley ID 756253