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2-[(3,4-dichlorobenzyl)thio]-6-propyl-nicotinonitrile
SpectraBase Compound ID JY2smf1DzKe
InChI InChI=1S/C16H14Cl2N2S/c1-2-3-13-6-5-12(9-19)16(20-13)21-10-11-4-7-14(17)15(18)8-11/h4-8H,2-3,10H2,1H3
InChIKey JXJCOCUGZSOWDK-UHFFFAOYSA-N
Mol Weight 337.27 g/mol
Molecular Formula C16H14Cl2N2S
Exact Mass 336.025475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5e1OgNaOa38
Name 2-[(3,4-dichlorobenzyl)thio]-6-propyl-nicotinonitrile
Alternate Name(s) 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-propyl-pyridine-3-carbonitrile 2-[(3,4-dichlorophenyl)methylthio]-6-propyl-3-pyridinecarbonitrile Nicotinonitrile, 2-(3,4-dichlorobenzylsulfanyl)-6-propyl-
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Formula C16H14Cl2N2S
InChI InChI=1S/C16H14Cl2N2S/c1-2-3-13-6-5-12(9-19)16(20-13)21-10-11-4-7-14(17)15(18)8-11/h4-8H,2-3,10H2,1H3
InChIKey JXJCOCUGZSOWDK-UHFFFAOYSA-N
Molecular Weight 337.268 g/mol
SMILES c1(c(C#N)ccc(n1)CCC)SCc1cc(Cl)c(cc1)Cl
SPLASH splash10-000i-5916000000-a2f18efe3f99ad2a8f42
Wiley ID 1441122