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O-3-{trans-4-[4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}propyl S-methyl dithiocarbonate
SpectraBase Compound ID 5QkvyGRKVbT
InChI InChI=1S/C23H32F2OS2/c1-28-23(27)26-14-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-21(24)22(25)15-20/h12-13,15-19H,2-11,14H2,1H3/t16-,17-,18?,19?
InChIKey TVFYNQFNXPHUHN-POSCCBCBSA-N
Mol Weight 426.6 g/mol
Molecular Formula C23H32F2OS2
Exact Mass 426.186264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMs0mgLjJP0
Name O-3-{trans-4-[4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}propyl S-methyl dithiocarbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32F2OS2
InChI InChI=1S/C23H32F2OS2/c1-28-23(27)26-14-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-21(24)22(25)15-20/h12-13,15-19H,2-11,14H2,1H3/t16-,17-,18?,19?
InChIKey TVFYNQFNXPHUHN-POSCCBCBSA-N
Molecular Weight 426.625 g/mol
SMILES C(=S)(SC)OCCC[C@]1(CC[C@](C2CCC(c3cc(F)c(cc3)F)CC2)(CC1)[H])[H]
SPLASH splash10-016r-6903000000-4a0979d3f43b3060fdb9
Source of Spectrum AJ-73-1885-5
Synonyms (3-{4-[4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}propoxy)(methylsulfanyl)methanethione O-3-{trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}propyl S-methyl dithiocarbonate
Wiley ID 775569