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Pyridine-3-carbonitrile, 2-[2-(4-chlorophenyl-2-oxoethyl)thio]-4,6-bis(trifluoromethyl)-
SpectraBase Compound ID 37XtG3pBxcE
InChI InChI=1S/C16H7ClF6N2OS/c17-9-3-1-8(2-4-9)12(26)7-27-14-10(6-24)11(15(18,19)20)5-13(25-14)16(21,22)23/h1-5H,7H2
InChIKey SPGUPCSCNKEWGP-UHFFFAOYSA-N
Mol Weight 424.75 g/mol
Molecular Formula C16H7ClF6N2OS
Exact Mass 423.987181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2dlIAyyuWN
Name Pyridine-3-carbonitrile, 2-[2-(4-chlorophenyl-2-oxoethyl)thio]-4,6-bis(trifluoromethyl)-
Alternate Name(s) 2-([2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl)-4,6-bis(trifluoromethyl)nicotinonitrile 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4,6-bis(trifluoromethyl)nicotinonitrile 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4,6-bis(trifluoromethyl)-3-pyridinecarbonitrile
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Formula C16H7ClF6N2OS
InChI InChI=1S/C16H7ClF6N2OS/c17-9-3-1-8(2-4-9)12(26)7-27-14-10(6-24)11(15(18,19)20)5-13(25-14)16(21,22)23/h1-5H,7H2
InChIKey SPGUPCSCNKEWGP-UHFFFAOYSA-N
Molecular Weight 424.748 g/mol
SMILES c1(c(C(F)(F)F)cc(nc1SCC(c1ccc(cc1)Cl)=O)C(F)(F)F)C#N
SPLASH splash10-000i-4900000000-5c9b5205326a462890e2
Source of Spectrum AD-0-2532-0
Wiley ID 1420170