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S-Methyl O-3-[trans-4-(trans-4-Pentylcyclohexyl)cyclohexyl]propyl dithiocarbonate
SpectraBase Compound ID HFNInQTSPs7
InChI InChI=1S/C22H40OS2/c1-3-4-5-7-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-6-17-23-22(24)25-2/h18-21H,3-17H2,1-2H3/t18-,19?,20-,21?
InChIKey MDUBDSSSQFPBOS-NEBFTCOFSA-N
Mol Weight 384.7 g/mol
Molecular Formula C22H40OS2
Exact Mass 384.252058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXcjV08h3zV
Name S-Methyl O-3-[trans-4-(trans-4-Pentylcyclohexyl)cyclohexyl]propyl dithiocarbonate
Alternate Name(s) (methylsulfanyl)({3-[4-(4-pentylcyclohexyl)cyclohexyl]propoxy})methanethione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40OS2
InChI InChI=1S/C22H40OS2/c1-3-4-5-7-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-6-17-23-22(24)25-2/h18-21H,3-17H2,1-2H3/t18-,19?,20-,21?
InChIKey MDUBDSSSQFPBOS-NEBFTCOFSA-N
Molecular Weight 384.681 g/mol
SMILES C(=S)(SC)OCCCC1CCC(CC1)[C@]1(CC[C@@](CC1)(CCCCC)[H])[H]
SPLASH splash10-014i-9600000000-fd3f5aeea3d450d80cb4
Source of Spectrum AJ-73-1886-6
Wiley ID 775564