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2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]-3-pyridinecarbothioic acid S-(2,4-dichlorophenyl) ester
SpectraBase Compound ID GskPXG60P4K
InChI InChI=1S/C21H14Cl2F3NO3S3/c22-14-6-7-18(17(23)12-14)32-20(28)16-5-2-8-27-19(16)31-9-10-33(29,30)15-4-1-3-13(11-15)21(24,25)26/h1-8,11-12H,9-10H2
InChIKey PQKQRVBOGNFAKJ-UHFFFAOYSA-N
Mol Weight 552.43 g/mol
Molecular Formula C21H14Cl2F3NO3S3
Exact Mass 550.946497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kNZNCbP8zN
Name 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]-3-pyridinecarbothioic acid S-(2,4-dichlorophenyl) ester
Alternate Name(s) 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]pyridine-3-carbothioic acid S-(2,4-dichlorophenyl) ester S-(2,4-dichlorophenyl) 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carbothioate
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Formula C21H14Cl2F3NO3S3
InChI InChI=1S/C21H14Cl2F3NO3S3/c22-14-6-7-18(17(23)12-14)32-20(28)16-5-2-8-27-19(16)31-9-10-33(29,30)15-4-1-3-13(11-15)21(24,25)26/h1-8,11-12H,9-10H2
InChIKey PQKQRVBOGNFAKJ-UHFFFAOYSA-N
Molecular Weight 552.428 g/mol
SMILES c1cnc(c(C(Sc2c(cc(cc2)Cl)Cl)=O)c1)SCCS(c1cc(C(F)(F)F)ccc1)(=O)=O
SPLASH splash10-00di-3905000000-07e63548384de41bbc98
Wiley ID 1446659