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1-Methylthio-2-hexyl-1-penta-1(Z),4-diene
SpectraBase Compound ID GaMTLKI4mI6
InChI InChI=1S/C12H22S/c1-4-6-7-8-10-12(9-5-2)11-13-3/h5,11H,2,4,6-10H2,1,3H3/b12-11+
InChIKey WJCKFGFDSVEYTG-VAWYXSNFSA-N
Mol Weight 198.37 g/mol
Molecular Formula C12H22S
Exact Mass 198.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gRus0suFqQ
Name 1-Methylthio-2-hexyl-1-penta-1(Z),4-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22S
InChI InChI=1S/C12H22S/c1-4-6-7-8-10-12(9-5-2)11-13-3/h5,11H,2,4,6-10H2,1,3H3/b12-11+
InChIKey WJCKFGFDSVEYTG-VAWYXSNFSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 198.368 g/mol
SMILES CS\C=C\(CCCCCC)CC=C
SPLASH splash10-0059-8900000000-e173cc8427327084e872
Source of Spectrum A1-9-263/SMS8-4ab
Synonyms (Z)-(2-allyloct-1-en-1-yl)(methyl)sulfane
Wiley ID 1757768