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5-n-butyl-6-(p-tolylsulfonyl)-5-decene
SpectraBase Compound ID 9KZ1SFoUmRU
InChI InChI=1S/C21H34O2S/c1-5-8-11-19(12-9-6-2)21(13-10-7-3)24(22,23)20-16-14-18(4)15-17-20/h14-17H,5-13H2,1-4H3
InChIKey XXAXSACGRNHSNO-UHFFFAOYSA-N
Mol Weight 350.6 g/mol
Molecular Formula C21H34O2S
Exact Mass 350.227952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ic9llVZZYtB
Name 5-n-butyl-6-(p-tolylsulfonyl)-5-decene
Alternate Name(s) 1,2-dibutyl-1-hexenyl 4-methylphenyl sulfone 1-[(1,2-dibutyl-1-hexenyl)sulfonyl]-4-methylbenzene
CAS Registry Number 91358-93-9
Comments Less than 3 mono-isotopic peaks
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Formula C21H34O2S
InChI InChI=1S/C21H34O2S/c1-5-8-11-19(12-9-6-2)21(13-10-7-3)24(22,23)20-16-14-18(4)15-17-20/h14-17H,5-13H2,1-4H3
InChIKey XXAXSACGRNHSNO-UHFFFAOYSA-N
Molecular Weight 350.561 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(=C(CCCC)CCCC)CCCC
SPLASH splash10-0006-9000000000-94c738ba110ef982d121
Source of Spectrum J-52-4263-16
Wiley ID 1342124