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5-Cyano-3-methyl-4-oxo-6-phenyl-2-thioxohexahydropyrimidine
SpectraBase Compound ID GhAlP3FaN0z
InChI InChI=1S/C12H11N3OS/c1-15-11(16)9(7-13)10(14-12(15)17)8-5-3-2-4-6-8/h2-6,9-10H,1H3,(H,14,17)
InChIKey FWXRYDDIEQBMAY-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 JISKoN2YcHM
Name 5-Cyano-3-methyl-4-oxo-6-phenyl-2-thioxohexahydropyrimidine
Alternate Name(s) 1-Methyl-6-oxo-4-phenyl-2-thioxohexahydro-5-pyrimidinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3OS
InChI InChI=1S/C12H11N3OS/c1-15-11(16)9(7-13)10(14-12(15)17)8-5-3-2-4-6-8/h2-6,9-10H,1H3,(H,14,17)
InChIKey FWXRYDDIEQBMAY-UHFFFAOYSA-N
Molecular Weight 245.300 g/mol
SMILES N1C(C(C(N(C1=S)C)=O)C#N)c1ccccc1
SPLASH splash10-0f92-2920000000-a5ea01db5e4ab8ab7ef1
Source of Spectrum H1-38-1085-2
Wiley ID 756254