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2-Thioxo-6-[p-methylphenyl]-5-cyano-hexahydropyrimidin-4-one
SpectraBase Compound ID J2bokI2LYOX
InChI InChI=1S/C12H11N3OS/c1-7-2-4-8(5-3-7)10-9(6-13)11(16)15-12(17)14-10/h2-5,9-10H,1H3,(H2,14,15,16,17)
InChIKey VNBZKLQKQNHAMF-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 FgWFwjqGfSr
Name 2-Thioxo-6-[p-methylphenyl]-5-cyano-hexahydropyrimidin-4-one
Alternate Name(s) 4-(4-Methylphenyl)-6-oxo-2-thioxohexahydro-5-pyrimidinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3OS
InChI InChI=1S/C12H11N3OS/c1-7-2-4-8(5-3-7)10-9(6-13)11(16)15-12(17)14-10/h2-5,9-10H,1H3,(H2,14,15,16,17)
InChIKey VNBZKLQKQNHAMF-UHFFFAOYSA-N
Molecular Weight 245.300 g/mol
SMILES N1C(NC(c2ccc(cc2)C)C(C1=O)C#N)=S
SPLASH splash10-01oy-3930000000-12def3589160543918c7
Source of Spectrum G2-34-2628-4
Wiley ID 1582452