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S-Methyl O-trans-4-[trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexylmethyl dithiocarbonate
SpectraBase Compound ID 98zupPLxwto
InChI InChI=1S/C21H28F2OS2/c1-26-21(25)24-13-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-11-19(22)20(23)12-18/h10-12,14-17H,2-9,13H2,1H3/t14-,15-,16?,17?
InChIKey YMKXTEPGEWFDAO-OJHJNGDYSA-N
Mol Weight 398.57 g/mol
Molecular Formula C21H28F2OS2
Exact Mass 398.154964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsHUQmC8QHc
Name S-Methyl O-trans-4-[trans-4-(3,4-Difluorophenyl)cyclohexyl]cyclohexylmethyl dithiocarbonate
Alternate Name(s) ({4-[4-(3,4-Difluorophenyl)cyclohexyl]cyclohexyl}methoxy)(methylsulfanyl)methanethione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28F2OS2
InChI InChI=1S/C21H28F2OS2/c1-26-21(25)24-13-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-11-19(22)20(23)12-18/h10-12,14-17H,2-9,13H2,1H3/t14-,15-,16?,17?
InChIKey YMKXTEPGEWFDAO-OJHJNGDYSA-N
Molecular Weight 398.571 g/mol
SMILES C(=S)(OC[C@]1(CC[C@](C2CCC(c3cc(F)c(cc3)F)CC2)(CC1)[H])[H])SC
SPLASH splash10-004l-0910000000-bbb7151baf121e108662
Source of Spectrum AJ-73-1885-5
Wiley ID 775426