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Pyridine-3-carbonitrile, 5-(2,4-dichlorobenzyl)-4,6-dimethyl-2-mercapto-
SpectraBase Compound ID 4kFJVLSTc5f
InChI InChI=1S/C15H12Cl2N2S/c1-8-12(9(2)19-15(20)13(8)7-18)5-10-3-4-11(16)6-14(10)17/h3-4,6H,5H2,1-2H3,(H,19,20)
InChIKey REZGJSVTYVDQFX-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 Kc17vuP7OKb
Name Pyridine-3-carbonitrile, 5-(2,4-dichlorobenzyl)-4,6-dimethyl-2-mercapto-
Alternate Name(s) 5-(2,4-Dichlorobenzyl)-4,6-dimethyl-2-sulfanylnicotinonitrile 5-(2,4-dichlorobenzyl)-4,6-dimethyl-2-thioxo-1H-pyridine-3-carbonitrile 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile 5-[(2,4-dichlorophenyl)methyl]-4,6-dimethyl-2-thioxo-1H-pyridine-3-carbonitrile
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Formula C15H12Cl2N2S
InChI InChI=1S/C15H12Cl2N2S/c1-8-12(9(2)19-15(20)13(8)7-18)5-10-3-4-11(16)6-14(10)17/h3-4,6H,5H2,1-2H3,(H,19,20)
InChIKey REZGJSVTYVDQFX-UHFFFAOYSA-N
Molecular Weight 323.241 g/mol
SMILES Sc1c(c(c(c(C)n1)Cc1c(cc(Cl)cc1)Cl)C)C#N
SPLASH splash10-00di-6829000000-80fa2b2fa3f9807bbb54
Source of Spectrum AD-0-2532-0
Wiley ID 1426034