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5-Cyano-1-methyl-4-oxo-6-phenyl-2-thioxohexahydropyrimidine

View entire compound with spectra: 1 MS (GC)

5-Cyano-1-methyl-4-oxo-6-phenyl-2-thioxohexahydropyrimidine
SpectraBase Compound ID IbSRIf4ciYI
InChI InChI=1S/C12H11N3OS/c1-15-10(8-5-3-2-4-6-8)9(7-13)11(16)14-12(15)17/h2-6,9-10H,1H3,(H,14,16,17)
InChIKey GLPXEELJIQFBKM-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C12H11N3OS
Exact Mass 245.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9W4ifLjcsuW
Name 5-Cyano-1-methyl-4-oxo-6-phenyl-2-thioxohexahydropyrimidine
Alternate Name(s) 1-Methyl-4-oxo-6-phenyl-2-thioxohexahydro-5-pyrimidinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3OS
InChI InChI=1S/C12H11N3OS/c1-15-10(8-5-3-2-4-6-8)9(7-13)11(16)14-12(15)17/h2-6,9-10H,1H3,(H,14,16,17)
InChIKey GLPXEELJIQFBKM-UHFFFAOYSA-N
Molecular Weight 245.300 g/mol
SMILES N1C(C(C(N(C1=S)C)c1ccccc1)C#N)=O
SPLASH splash10-004j-1960000000-c8d47981ae713a74574d
Source of Spectrum H1-38-1086-2
Wiley ID 756252