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2-((2,4-Bis(trifluoromethyl)phenyl)thio)pyridine
SpectraBase Compound ID 8TNzxingvaF
InChI InChI=1S/C13H7F6NS/c14-12(15,16)8-4-5-10(9(7-8)13(17,18)19)21-11-3-1-2-6-20-11/h1-7H
InChIKey JCTVRGPWASQNAH-UHFFFAOYSA-N
Mol Weight 323.26 g/mol
Molecular Formula C13H7F6NS
Exact Mass 323.020339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvXeSiToHB5
Name 2-((2,4-Bis(trifluoromethyl)phenyl)thio)pyridine
Appearance Pale yellow oil
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Exact Mass 323.020339381 u
Formula C13H7F6NS
InChI InChI=1S/C13H7F6NS/c14-12(15,16)8-4-5-10(9(7-8)13(17,18)19)21-11-3-1-2-6-20-11/h1-7H
InChIKey JCTVRGPWASQNAH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201508719
Molecular Weight 323.256 g/mol
Quality 344
Reported Formula C13H6NF6S
SMILES C1=C(C=CC(=C1C(F)(F)F)SC1=NC=CC=C1)C(F)(F)F
SPLASH splash10-0udi-0093000000-d1ce8548b7f3a3823009
Source of Spectrum ACI-55-SM40-33a (DOI: 10.1002/anie.201508719)
Wiley ID 1895112