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S-Methyl O-trans-4-[trans-4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexylmethyl dithiocarbonate
SpectraBase Compound ID B5HyC58qTYv
InChI InChI=1S/C21H27F3OS2/c1-27-21(26)25-12-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-18(22)20(24)19(23)11-17/h10-11,13-16H,2-9,12H2,1H3/t13-,14-,15?,16?
InChIKey RTDIVAQXOLQJIM-MSBXVQKDSA-N
Mol Weight 416.56 g/mol
Molecular Formula C21H27F3OS2
Exact Mass 416.145542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZTIkAgb1Kt
Name S-Methyl O-trans-4-[trans-4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexylmethyl dithiocarbonate
Alternate Name(s) (methylsulfanyl)({4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl}methoxy)methanethione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27F3OS2
InChI InChI=1S/C21H27F3OS2/c1-27-21(26)25-12-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-18(22)20(24)19(23)11-17/h10-11,13-16H,2-9,12H2,1H3/t13-,14-,15?,16?
InChIKey RTDIVAQXOLQJIM-MSBXVQKDSA-N
Molecular Weight 416.561 g/mol
SMILES c1(c(cc(cc1F)C1CCC(CC1)[C@]1(CC[C@](COC(=S)SC)(CC1)[H])[H])F)F
SPLASH splash10-0002-9502000000-a769128d49d62b6c7af9
Source of Spectrum AJ-73-1886-22
Wiley ID 775561