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Cyclohexane, [1-butyl-2-(methylthio)-1,4-pentadienyl]-, (E)-
SpectraBase Compound ID FwZC2mXdISk
InChI InChI=1S/C16H28S/c1-4-6-13-15(16(17-3)10-5-2)14-11-8-7-9-12-14/h5,14H,2,4,6-13H2,1,3H3/b16-15+
InChIKey YGQZZTMKJRYKBS-FOCLMDBBSA-N
Mol Weight 252.46 g/mol
Molecular Formula C16H28S
Exact Mass 252.191172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEbL9cDdgLo
Name Cyclohexane, [1-butyl-2-(methylthio)-1,4-pentadienyl]-, (E)-
Alternate Name(s) (1E)-1-allyl-2-cyclohexyl-1-hexenyl methyl sulfide (E)-1-Allyl-2-cyclohexyl-1-hexenyl methyl sulfide [(1E)-1-butyl-2-(methylsulfanyl)-1,4-pentadienyl]cyclohexane
CAS Registry Number 134629-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28S
InChI InChI=1S/C16H28S/c1-4-6-13-15(16(17-3)10-5-2)14-11-8-7-9-12-14/h5,14H,2,4,6-13H2,1,3H3/b16-15+
InChIKey YGQZZTMKJRYKBS-FOCLMDBBSA-N
Molecular Weight 252.460 g/mol
SMILES CS\C(=C\(C1CCCCC1)CCCC)CC=C
SPLASH splash10-052f-9110000000-ed38f740e96d726b554e
Source of Spectrum C-113-5741-7
Wiley ID 1256195