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Benzene, [[5-(1,1-dimethylethyl)-2-methyl-1-cyclohexen-1-yl]thio]-
SpectraBase Compound ID 1ptyPs2b8cZ
InChI InChI=1S/C17H24S/c1-3-5-7-9-13-16(12-6-4-2)18-17-14-10-8-11-15-17/h8-15H,3-7H2,1-2H3/b13-9+,16-12+
InChIKey MTKBULUWFGSKDO-PWIIIKTLSA-N
Mol Weight 260.44 g/mol
Molecular Formula C17H24S
Exact Mass 260.159872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zQbIJw8k0q
Name Benzene, [[5-(1,1-dimethylethyl)-2-methyl-1-cyclohexen-1-yl]thio]-
Alternate Name(s) (1E,2E)-1-butylidene-2-heptenyl phenyl sulfide (E)-1-Butylidene-2-heptenyl phenyl sulfide 5-t-butyl-2-methyl-1-cyclohexenyl phenyl sulfide {[(1E,2E)-1-butylidene-2-heptenyl]sulfanyl}benzene
CAS Registry Number 78839-98-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24S
InChI InChI=1S/C17H24S/c1-3-5-7-9-13-16(12-6-4-2)18-17-14-10-8-11-15-17/h8-15H,3-7H2,1-2H3/b13-9+,16-12+
InChIKey MTKBULUWFGSKDO-PWIIIKTLSA-N
Molecular Weight 260.439 g/mol
SMILES c1(S\C(\C=C\CCCC)=C/CCC)ccccc1
SPLASH splash10-08fr-9070000000-92150cab9ea042471ee6
Source of Spectrum AJ-57-113-5
Wiley ID 1264219