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Bis(3,5-bis(4-fluorophenylsulfanyl)sulfone
SpectraBase Compound ID A1RpsPGqsr5
InChI InChI=1S/C36H22F4O2S5/c37-23-1-9-27(10-2-23)43-31-17-32(44-28-11-3-24(38)4-12-28)20-35(19-31)47(41,42)36-21-33(45-29-13-5-25(39)6-14-29)18-34(22-36)46-30-15-7-26(40)8-16-30/h1-22H
InChIKey DUGZBFOVGUXRIV-UHFFFAOYSA-N
Mol Weight 722.9 g/mol
Molecular Formula C36H22F4O2S5
Exact Mass 722.015948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LK0exs2t0Db
Name Bis(3,5-bis(4-fluorophenylsulfanyl)sulfone
Comments Less than 3 mono-isotopic peaks
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Formula C36H22F4O2S5
InChI InChI=1S/C36H22F4O2S5/c37-23-1-9-27(10-2-23)43-31-17-32(44-28-11-3-24(38)4-12-28)20-35(19-31)47(41,42)36-21-33(45-29-13-5-25(39)6-14-29)18-34(22-36)46-30-15-7-26(40)8-16-30/h1-22H
InChIKey DUGZBFOVGUXRIV-UHFFFAOYSA-N
Molecular Weight 722.864 g/mol
SMILES c1(S(c2cc(Sc3ccc(cc3)F)cc(c2)Sc2ccc(cc2)F)(=O)=O)cc(Sc2ccc(cc2)F)cc(c1)Sc1ccc(cc1)F
SPLASH splash10-00di-0000001900-433941862a6494565552
Source of Spectrum KC-61-12319-10
Wiley ID 1631684