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(5E,9E)-13,14-bis(methylsulfanyl)tetradeca-1,5,9-triene
SpectraBase Compound ID KDlbK3UiJCY
InChI InChI=1S/C16H28S2/c1-4-5-6-7-8-9-10-11-12-13-14-16(18-3)15-17-2/h4,7-8,11-12,16H,1,5-6,9-10,13-15H2,2-3H3/b8-7+,12-11+
InChIKey IMUVMKMBLLAQID-NJHWEWLZSA-N
Mol Weight 284.52 g/mol
Molecular Formula C16H28S2
Exact Mass 284.163243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4U1YbyjJnU
Name (5E,9E)-13,14-bis(methylsulfanyl)tetradeca-1,5,9-triene
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28S2
GC Oven Program Oven temp 320oC, Splitless injector
InChI InChI=1S/C16H28S2/c1-4-5-6-7-8-9-10-11-12-13-14-16(18-3)15-17-2/h4,7-8,11-12,16H,1,5-6,9-10,13-15H2,2-3H3/b8-7+,12-11+
InChIKey IMUVMKMBLLAQID-NJHWEWLZSA-N
Instrument Name Agilent 6890-5973
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9228
Molecular Weight 284.520 g/mol
SMILES C(C(CC\C=C\CC\C=C\CCC=C)SC)SC
SPLASH splash10-0006-9420000000-0885d86636c03d190ef6
Source of Spectrum RCM-36-5-Figure 2 D
Wiley ID 1879664