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pentafluoro-[4-[3-(trifluoromethyl)phenyl]phenyl]-.lambda.6-sulfane
SpectraBase Compound ID 9yVA5vBTwrC
InChI InChI=1S/C13H8F8S/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(7-5-9)22(17,18,19,20)21/h1-8H
InChIKey BRXGCVZCKIINOT-UHFFFAOYSA-N
Mol Weight 348.25 g/mol
Molecular Formula C13H8F8S
Exact Mass 348.021897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SpwWgJGe8
Name pentafluoro-[4-[3-(trifluoromethyl)phenyl]phenyl]-.lambda.6-sulfane
Appearance White solid
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Formula C13H8F8S
InChI InChI=1S/C13H8F8S/c14-13(15,16)11-3-1-2-10(8-11)9-4-6-12(7-5-9)22(17,18,19,20)21/h1-8H
InChIKey BRXGCVZCKIINOT-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI positive ion
Literature Reference DOI 10.3762/bjoc.11.162
Molecular Weight 348.254 g/mol
Reported Formula C13H8F8S
SMILES c1c(ccc(c1)S(F)(F)(F)(F)F)-c1cc(ccc1)C(F)(F)F
SPLASH splash10-0f6w-0396000000-78a2c4ece0de31893cd7
Source of Spectrum BJO-11-SM9-7bc
Thin-Layer Chromatography Rf = 0.39 (hexane)
Wiley ID 1851534