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pentafluoro-[4-(4-methoxyphenyl)phenyl]-.lambda.6-sulfane
SpectraBase Compound ID JhHmmCGobAw
InChI InChI=1S/C13H11F5OS/c1-19-12-6-2-10(3-7-12)11-4-8-13(9-5-11)20(14,15,16,17)18/h2-9H,1H3
InChIKey DAXOTGPEFGCWJV-UHFFFAOYSA-N
Mol Weight 310.28 g/mol
Molecular Formula C13H11F5OS
Exact Mass 310.045077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeMvss8Dfnb
Name pentafluoro-[4-(4-methoxyphenyl)phenyl]-.lambda.6-sulfane
Appearance White solid
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Formula C13H11F5OS
InChI InChI=1S/C13H11F5OS/c1-19-12-6-2-10(3-7-12)11-4-8-13(9-5-11)20(14,15,16,17)18/h2-9H,1H3
InChIKey DAXOTGPEFGCWJV-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI positive ion
Literature Reference DOI 10.3762/bjoc.11.162
Molecular Weight 310.282 g/mol
Reported Formula C13H11F5OS
SMILES c1c(ccc(c1)S(F)(F)(F)(F)F)-c1ccc(cc1)OC
SPLASH splash10-03di-0709000000-d3af69208ccf80f3e6f9
Source of Spectrum BJO-11-SM10-7bd
Thin-Layer Chromatography Rf = 0.17 (hexane)
Wiley ID 1851535