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O-5-{trans-4-[trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}pentyl S-methyl dithiocarbonate
SpectraBase Compound ID 27pyg6oN4Bp
InChI InChI=1S/C25H36F2OS2/c1-30-25(29)28-16-4-2-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-23(26)24(27)17-22/h14-15,17-21H,2-13,16H2,1H3/t18-,19-,20?,21?
InChIKey NLHFISQTQITNKZ-GOHCJOFJSA-N
Mol Weight 454.7 g/mol
Molecular Formula C25H36F2OS2
Exact Mass 454.217564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvC2UO2eeuP
Name O-5-{trans-4-[trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}pentyl S-methyl dithiocarbonate
Alternate Name(s) [(5-{4-[4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}pentyl)oxy](methylsulfanyl)methanethione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36F2OS2
InChI InChI=1S/C25H36F2OS2/c1-30-25(29)28-16-4-2-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-23(26)24(27)17-22/h14-15,17-21H,2-13,16H2,1H3/t18-,19-,20?,21?
InChIKey NLHFISQTQITNKZ-GOHCJOFJSA-N
Molecular Weight 454.679 g/mol
SMILES C(=S)(SC)OCCCCC[C@]1(CC[C@](C2CCC(c3cc(F)c(cc3)F)CC2)(CC1)[H])[H]
SPLASH splash10-00nb-7902000000-e7745bbcd924375ad0ae
Source of Spectrum AJ-73-1885-5
Wiley ID 775567