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2-(1,5-Dimethylhex-4-enyl)-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)-1,3-dithiane
SpectraBase Compound ID K5ehlupL0zv
InChI InChI=1S/C27H46S2/c1-22(2)12-8-14-24(5)15-10-16-25(6)18-19-27(28-20-11-21-29-27)26(7)17-9-13-23(3)4/h12-13,15,18,26H,8-11,14,16-17,19-21H2,1-7H3
InChIKey MMUABAKPZISATO-UHFFFAOYSA-N
Mol Weight 434.8 g/mol
Molecular Formula C27H46S2
Exact Mass 434.304094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNk3hgTrLyq
Name 2-(1,5-Dimethylhex-4-enyl)-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46S2
InChI InChI=1S/C27H46S2/c1-22(2)12-8-14-24(5)15-10-16-25(6)18-19-27(28-20-11-21-29-27)26(7)17-9-13-23(3)4/h12-13,15,18,26H,8-11,14,16-17,19-21H2,1-7H3
InChIKey MMUABAKPZISATO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200690047
Molecular Weight 434.785 g/mol
SMILES C1(SCCCS1)(CC=C(CCC=C(CCC=C(C)C)C)C)C(CCC=C(C)C)C
SPLASH splash10-00si-9421200000-e2b8140b63f062a493a3
Source of Spectrum CBD-3-449-16c
Synonyms 2-(6-Methylhept-5-en-2-yl)-2-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-1,3-dithiane
Wiley ID 1790262