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trans-1-(3,4-Difluorophenyl)-4-[trans-4-(1,2-difluoro-2-phenylsulfinylethyl)cyclohexyl]cyclohexane
SpectraBase Compound ID 1bd1jAFiC9c
InChI InChI=1S/C26H30F4OS/c27-23-15-14-21(16-24(23)28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)25(29)26(30)32(31)22-4-2-1-3-5-22/h1-5,14-20,25-26H,6-13H2/t17-,18-,19-,20-,25?,26?,32?
InChIKey KCQKNQOAFDUCOA-STPQQPFCSA-N
Mol Weight 466.58 g/mol
Molecular Formula C26H30F4OS
Exact Mass 466.195349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cu83tmlGOxC
Name trans-1-(3,4-Difluorophenyl)-4-[trans-4-(1,2-difluoro-2-phenylsulfinylethyl)cyclohexyl]cyclohexane
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Formula C26H30F4OS
InChI InChI=1S/C26H30F4OS/c27-23-15-14-21(16-24(23)28)19-8-6-17(7-9-19)18-10-12-20(13-11-18)25(29)26(30)32(31)22-4-2-1-3-5-22/h1-5,14-20,25-26H,6-13H2/t17-,18-,19-,20-,25?,26?,32?
InChIKey KCQKNQOAFDUCOA-STPQQPFCSA-N
Molecular Weight 466.579 g/mol
SMILES C(S(=O)c1ccccc1)(C([C@]1(CC[C@@](CC1)([C@]1(CC[C@](c2cc(F)c(cc2)F)(CC1)[H])[H])[H])[H])F)F
SPLASH splash10-004i-5900100000-d1ec281f8d49d442b0a8
Source of Spectrum AJ-73-1640-5
Synonyms 4-(4-{4-[2-(benzenesulfinyl)-1,2-difluoroethyl]cyclohexyl}cyclohexyl)-1,2-difluorobenzene
Wiley ID 775403