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O-4-{trans-4-[4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}butyl S-methyl dithiocarbonate
SpectraBase Compound ID 2OLZIjI1bS3
InChI InChI=1S/C24H34F2OS2/c1-29-24(28)27-15-3-2-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-22(25)23(26)16-21/h13-14,16-20H,2-12,15H2,1H3/t17-,18-,19?,20?
InChIKey QKYYKQFGMLTPMK-RTWGARKQSA-N
Mol Weight 440.7 g/mol
Molecular Formula C24H34F2OS2
Exact Mass 440.201914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYUqfrALl78
Name O-4-{trans-4-[4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}butyl S-methyl dithiocarbonate
Alternate Name(s) (4-{4-[4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}butoxy)(methylsulfanyl)methanethione O-4-{trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}butyl S-methyl dithiocarbonate
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Formula C24H34F2OS2
InChI InChI=1S/C24H34F2OS2/c1-29-24(28)27-15-3-2-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-22(25)23(26)16-21/h13-14,16-20H,2-12,15H2,1H3/t17-,18-,19?,20?
InChIKey QKYYKQFGMLTPMK-RTWGARKQSA-N
Molecular Weight 440.652 g/mol
SMILES C(=S)(SC)OCCCC[C@]1(CC[C@](C2CCC(c3cc(F)c(cc3)F)CC2)(CC1)[H])[H]
SPLASH splash10-00c0-7903000000-9d78da0ac1da74c01ef3
Source of Spectrum AJ-73-1885-5
Wiley ID 775568