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S-Methyl O-4-[trans-4-(trans-4-Pentylcyclohexyl)cyclohexyl]butyl dithiocarbonate
SpectraBase Compound ID Ku2ROiRyqx3
InChI InChI=1S/C23H42OS2/c1-3-4-5-8-19-10-14-21(15-11-19)22-16-12-20(13-17-22)9-6-7-18-24-23(25)26-2/h19-22H,3-18H2,1-2H3/t19-,20?,21-,22?
InChIKey SOSIOHXCDQNWED-IKVFXUPASA-N
Mol Weight 398.7 g/mol
Molecular Formula C23H42OS2
Exact Mass 398.267708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsYnaETska2
Name S-Methyl O-4-[trans-4-(trans-4-Pentylcyclohexyl)cyclohexyl]butyl dithiocarbonate
Alternate Name(s) (methylsulfanyl)({4-[4-(4-pentylcyclohexyl)cyclohexyl]butoxy})methanethione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H42OS2
InChI InChI=1S/C23H42OS2/c1-3-4-5-8-19-10-14-21(15-11-19)22-16-12-20(13-17-22)9-6-7-18-24-23(25)26-2/h19-22H,3-18H2,1-2H3/t19-,20?,21-,22?
InChIKey SOSIOHXCDQNWED-IKVFXUPASA-N
Molecular Weight 398.708 g/mol
SMILES C(=S)(SC)OCCCCC1CCC(CC1)[C@]1(CC[C@@](CC1)(CCCCC)[H])[H]
SPLASH splash10-0019-9106000000-1de3fbc305bc408cf970
Source of Spectrum AJ-73-1886-6
Wiley ID 775563