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4-(4-Chlorophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
SpectraBase Compound ID HNXa0tO8pTy
InChI InChI=1S/C11H8ClN3OS/c12-7-3-1-6(2-4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4,8-9H,(H2,14,15,16,17)
InChIKey ABMFAEYEKHNRPB-UHFFFAOYSA-N
Mol Weight 265.72 g/mol
Molecular Formula C11H8ClN3OS
Exact Mass 265.007661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItVWizHQEkb
Name 4-(4-Chlorophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
Alternate Name(s) 4-(4-Chlorophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(4-Chlorophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(4-Chlorophenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile
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Formula C11H8ClN3OS
InChI InChI=1S/C11H8ClN3OS/c12-7-3-1-6(2-4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4,8-9H,(H2,14,15,16,17)
InChIKey ABMFAEYEKHNRPB-UHFFFAOYSA-N
Molecular Weight 265.718 g/mol
SMILES N1C(NC(c2ccc(cc2)Cl)C(C1=O)C#N)=S
SPLASH splash10-00kr-0890000000-433b6f309cb656d7c05c
Source of Spectrum G2-34-2630-4
Wiley ID 1582446