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trans-1-(3,4-Difluorophenyl)-4-[trans-4-(3,4-difluoro-4-phenylsulfinylbutyl)cyclohexyl]cyclohexane
SpectraBase Compound ID 2l8IG3nO4HO
InChI InChI=1S/C28H34F4OS/c29-25-17-15-23(18-27(25)31)22-13-11-21(12-14-22)20-9-6-19(7-10-20)8-16-26(30)28(32)34(33)24-4-2-1-3-5-24/h1-5,15,17-22,26,28H,6-14,16H2/t19-,20-,21-,22-,26?,28?,34?
InChIKey RKQYDEFCOZWOHK-DLJYPIHCSA-N
Mol Weight 494.6 g/mol
Molecular Formula C28H34F4OS
Exact Mass 494.22665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5X8X2w4v6Pv
Name trans-1-(3,4-Difluorophenyl)-4-[trans-4-(3,4-difluoro-4-phenylsulfinylbutyl)cyclohexyl]cyclohexane
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Formula C28H34F4OS
InChI InChI=1S/C28H34F4OS/c29-25-17-15-23(18-27(25)31)22-13-11-21(12-14-22)20-9-6-19(7-10-20)8-16-26(30)28(32)34(33)24-4-2-1-3-5-24/h1-5,15,17-22,26,28H,6-14,16H2/t19-,20-,21-,22-,26?,28?,34?
InChIKey RKQYDEFCOZWOHK-DLJYPIHCSA-N
Molecular Weight 494.633 g/mol
SMILES C(S(=O)c1ccccc1)(C(CC[C@]1(CC[C@]([C@]2(CC[C@](c3cc(F)c(cc3)F)(CC2)[H])[H])(CC1)[H])[H])F)F
SPLASH splash10-004i-4900000000-069fc67127e3f002bb98
Source of Spectrum AJ-73-1640-5
Synonyms 4-(4-{4-[4-(benzenesulfinyl)-3,4-difluorobutyl]cyclohexyl}cyclohexyl)-1,2-difluorobenzene
Wiley ID 775404