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5-Chloro-2-(2-chloro-benzylsulfanyl)-4,6-dimethyl-nicotinonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-Chloro-2-(2-chloro-benzylsulfanyl)-4,6-dimethyl-nicotinonitrile
SpectraBase Compound ID Bts1DKFBTGy
InChI InChI=1S/C15H12Cl2N2S/c1-9-12(7-18)15(19-10(2)14(9)17)20-8-11-5-3-4-6-13(11)16/h3-6H,8H2,1-2H3
InChIKey VZKOPUSVKDQXRO-UHFFFAOYSA-N
Mol Weight 323.24 g/mol
Molecular Formula C15H12Cl2N2S
Exact Mass 322.009825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hsa6BDlZiCW
Name 5-Chloro-2-(2-chloro-benzylsulfanyl)-4,6-dimethyl-nicotinonitrile
Alternate Name(s) 5-Chloranyl-2-[(2-chlorophenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile 5-Chloro-2-[(2-chlorobenzyl)thio]-4,6-dimethyl-nicotinonitrile 5-Chloro-2-[(2-chlorophenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile 5-Chloro-2-[(2-chlorophenyl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile
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Formula C15H12Cl2N2S
InChI InChI=1S/C15H12Cl2N2S/c1-9-12(7-18)15(19-10(2)14(9)17)20-8-11-5-3-4-6-13(11)16/h3-6H,8H2,1-2H3
InChIKey VZKOPUSVKDQXRO-UHFFFAOYSA-N
Molecular Weight 323.241 g/mol
SMILES c1(c(nc(c(c1C)Cl)C)SCc1c(Cl)cccc1)C#N
SPLASH splash10-004r-6941000000-69cc1a02ef9546801a4c
Wiley ID 1464493