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1-{trans-4-[3-Fluoro-4-(phenylthio)butyl]cyclohexyl}-trans-4-(3,4-difluorophenyl)cyclohexane
SpectraBase Compound ID LAWVq8FOcM4
InChI InChI=1S/C28H35F3S/c29-25(19-32-26-4-2-1-3-5-26)16-8-20-6-9-21(10-7-20)22-11-13-23(14-12-22)24-15-17-27(30)28(31)18-24/h1-5,15,17-18,20-23,25H,6-14,16,19H2/t20-,21-,22?,23?,25?
InChIKey BFRGBUMQAMGAMN-HGBKKRHGSA-N
Mol Weight 460.6 g/mol
Molecular Formula C28H35F3S
Exact Mass 460.241157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ngnr3DFxCK
Name 1-{trans-4-[3-Fluoro-4-(phenylthio)butyl]cyclohexyl}-trans-4-(3,4-difluorophenyl)cyclohexane
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Formula C28H35F3S
InChI InChI=1S/C28H35F3S/c29-25(19-32-26-4-2-1-3-5-26)16-8-20-6-9-21(10-7-20)22-11-13-23(14-12-22)24-15-17-27(30)28(31)18-24/h1-5,15,17-18,20-23,25H,6-14,16,19H2/t20-,21-,22?,23?,25?
InChIKey BFRGBUMQAMGAMN-HGBKKRHGSA-N
Molecular Weight 460.643 g/mol
SMILES c1(cc(F)c(cc1)F)C1CCC(CC1)[C@]1(CC[C@@](CC1)(CCC(CSc1ccccc1)F)[H])[H]
SPLASH splash10-040r-4900000000-08833a45bf4510f128ee
Source of Spectrum AJ-73-1638-3
Synonyms 1,2-Difluoro-4-(4-{4-[3-fluoro-4-(phenylsulfanyl)butyl]cyclohexyl}cyclohexyl)benzene
Wiley ID 775411