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(2,4-dichlorophenyl) 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxylate
SpectraBase Compound ID HaVkitR3WvM
InChI InChI=1S/C21H14Cl2F3NO4S2/c22-14-6-7-18(17(23)12-14)31-20(28)16-5-2-8-27-19(16)32-9-10-33(29,30)15-4-1-3-13(11-15)21(24,25)26/h1-8,11-12H,9-10H2
InChIKey CWMUCIDTCCZNEE-UHFFFAOYSA-N
Mol Weight 536.37 g/mol
Molecular Formula C21H14Cl2F3NO4S2
Exact Mass 534.96934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdmWcEfjquL
Name (2,4-dichlorophenyl) 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxylate
Alternate Name(s) 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]-3-pyridinecarboxylic acid (2,4-dichlorophenyl) ester 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]nicotinic acid (2,4-dichlorophenyl) ester
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Formula C21H14Cl2F3NO4S2
InChI InChI=1S/C21H14Cl2F3NO4S2/c22-14-6-7-18(17(23)12-14)31-20(28)16-5-2-8-27-19(16)32-9-10-33(29,30)15-4-1-3-13(11-15)21(24,25)26/h1-8,11-12H,9-10H2
InChIKey CWMUCIDTCCZNEE-UHFFFAOYSA-N
Molecular Weight 536.367 g/mol
SMILES c1cnc(c(C(Oc2c(cc(cc2)Cl)Cl)=O)c1)SCCS(c1cc(C(F)(F)F)ccc1)(=O)=O
SPLASH splash10-00di-3906000000-518a39138a5c3fe667ba
Wiley ID 1446655