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3-Cyclohexene-1-butanoic acid, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-.gamma.-methyl-.alpha.-(2-methylprop yl)-.alpha.-(methylthio)-

View entire compound with spectra: 1 MS (GC)

3-Cyclohexene-1-butanoic acid, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-.gamma.-methyl-.alpha.-(2-methylprop yl)-.alpha.-(methylthio)-
SpectraBase Compound ID 4cvt07v5xH2
InChI InChI=1S/C22H38O4S/c1-15(2)11-22(27-6,20(23)24)12-16(3)17-7-9-18(10-8-17)19-25-13-21(4,5)14-26-19/h9,15-17,19H,7-8,10-14H2,1-6H3,(H,23,24)
InChIKey DUMUKQNSAANZAN-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C22H38O4S
Exact Mass 398.249081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwkYo0JsMXH
Name 3-Cyclohexene-1-butanoic acid, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-.gamma.-methyl-.alpha.-(2-methylprop yl)-.alpha.-(methylthio)-
Alternate Name(s) 4-(4'-Methylthio-4'-carboxyhept-2'-yl)cyclohex-1-enyl 2',2'-dimethylpropylene acetal 4-[4-(5,5-dimethyl-1,3-dioxan-2-yl)-3-cyclohexen-1-yl]-2-isobutyl-2-(methylsulfanyl)pentanoic acid
CAS Registry Number 58475-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O4S
InChI InChI=1S/C22H38O4S/c1-15(2)11-22(27-6,20(23)24)12-16(3)17-7-9-18(10-8-17)19-25-13-21(4,5)14-26-19/h9,15-17,19H,7-8,10-14H2,1-6H3,(H,23,24)
InChIKey DUMUKQNSAANZAN-UHFFFAOYSA-N
Molecular Weight 398.602 g/mol
SMILES OC(C(CC(C1CC=C(C2OCC(CO2)(C)C)CC1)C)(CC(C)C)SC)=O
SPLASH splash10-0aos-1901000000-8d012924b313c371ecab
Source of Spectrum C-99-3111-0
Wiley ID 1368440