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5-Chloro-4,6-dimethyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-nicotinonitrile

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5-Chloro-4,6-dimethyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-nicotinonitrile
SpectraBase Compound ID AssgJBoRKDr
InChI InChI=1S/C16H13ClN2OS/c1-10-13(8-18)16(19-11(2)15(10)17)21-9-14(20)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3
InChIKey GRKUNECUMDCHGI-UHFFFAOYSA-N
Mol Weight 316.81 g/mol
Molecular Formula C16H13ClN2OS
Exact Mass 316.043712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77jhOqlBPhQ
Name 5-Chloro-4,6-dimethyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-nicotinonitrile
Alternate Name(s) 5-Chloranyl-4,6-dimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile 5-Chloro-4,6-dimethyl-2-(phenacylthio)-3-pyridinecarbonitrile 5-Chloro-4,6-dimethyl-2-(phenacylthio)nicotinonitrile 5-Chloro-4,6-dimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile
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Formula C16H13ClN2OS
InChI InChI=1S/C16H13ClN2OS/c1-10-13(8-18)16(19-11(2)15(10)17)21-9-14(20)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3
InChIKey GRKUNECUMDCHGI-UHFFFAOYSA-N
Molecular Weight 316.806 g/mol
SMILES c1(c(nc(c(c1C)Cl)C)SCC(=O)c1ccccc1)C#N
SPLASH splash10-0zi0-9200000000-f3edf51248acc63ed1f7
Wiley ID 1462628