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2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]-3-pyridinecarbothioic acid S-tert-butyl ester
SpectraBase Compound ID A4EIYPbleFl
InChI InChI=1S/C19H20F3NO3S3/c1-18(2,3)28-17(24)15-8-5-9-23-16(15)27-10-11-29(25,26)14-7-4-6-13(12-14)19(20,21)22/h4-9,12H,10-11H2,1-3H3
InChIKey LYBACNFIHGHLEC-UHFFFAOYSA-N
Mol Weight 463.55 g/mol
Molecular Formula C19H20F3NO3S3
Exact Mass 463.055742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAbRTjRdoCc
Name 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]-3-pyridinecarbothioic acid S-tert-butyl ester
Alternate Name(s) 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]pyridine-3-carbothioic acid S-tert-butyl ester S-tert-butyl 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carbothioate
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Formula C19H20F3NO3S3
InChI InChI=1S/C19H20F3NO3S3/c1-18(2,3)28-17(24)15-8-5-9-23-16(15)27-10-11-29(25,26)14-7-4-6-13(12-14)19(20,21)22/h4-9,12H,10-11H2,1-3H3
InChIKey LYBACNFIHGHLEC-UHFFFAOYSA-N
Molecular Weight 463.548 g/mol
SMILES c1cnc(c(C(SC(C)(C)C)=O)c1)SCCS(c1cc(C(F)(F)F)ccc1)(=O)=O
SPLASH splash10-00di-4900000000-6748b20cf624bf72faa6
Wiley ID 1446663