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2,4-diphenyl-7-(pentafluorosulfanyl)quinazoline
SpectraBase Compound ID 1RfAHC9Z87H
InChI InChI=1S/C20H13F5N2S/c21-28(22,23,24,25)16-11-12-17-18(13-16)26-20(15-9-5-2-6-10-15)27-19(17)14-7-3-1-4-8-14/h1-13H
InChIKey HMMNBXITNAYOQE-UHFFFAOYSA-N
Mol Weight 408.39 g/mol
Molecular Formula C20H13F5N2S
Exact Mass 408.07196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3Bh3hBVsKk
Name 2,4-diphenyl-7-(pentafluorosulfanyl)quinazoline
Appearance White solid
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Formula C20H13F5N2S
InChI InChI=1S/C20H13F5N2S/c21-28(22,23,24,25)16-11-12-17-18(13-16)26-20(15-9-5-2-6-10-15)27-19(17)14-7-3-1-4-8-14/h1-13H
InChIKey HMMNBXITNAYOQE-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.43
Molecular Weight 408.390 g/mol
Reported Formula C20H13F5N2S
SMILES c1(nc(c2c(n1)cc(cc2)S(F)(F)(F)(F)F)-c1ccccc1)-c1ccccc1
SPLASH splash10-0a59-0270900000-4b8f5eb98c8b88c45e4b
Source of Spectrum BJO-9-SM9-14
Thin-Layer Chromatography Rf = 0.56 (EtOAc/PE, 5:95)
Wiley ID 1853818