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3-Cyclohexene-1-butanoic acid, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-.gamma.-methyl-.alpha.-(2-methylprop yl)-, methyl ester
SpectraBase Compound ID LxmX3wZWMIO
InChI InChI=1S/C22H38O4/c1-15(2)11-19(20(23)24-6)12-16(3)17-7-9-18(10-8-17)21-25-13-22(4,5)14-26-21/h9,15-17,19,21H,7-8,10-14H2,1-6H3
InChIKey UOICJFXSQYLCQW-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jrt9Oh1wJZ6
Name 3-Cyclohexene-1-butanoic acid, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-.gamma.-methyl-.alpha.-(2-methylprop yl)-, methyl ester
CAS Registry Number 63049-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-15(2)11-19(20(23)24-6)12-16(3)17-7-9-18(10-8-17)21-25-13-22(4,5)14-26-21/h9,15-17,19,21H,7-8,10-14H2,1-6H3
InChIKey UOICJFXSQYLCQW-UHFFFAOYSA-N
Molecular Weight 366.542 g/mol
SMILES C1(C2=CCC(C(CC(C(=O)OC)CC(C)C)C)CC2)OCC(CO1)(C)C
SPLASH splash10-0avs-4910000000-8f82aae3d7f53c8addc0
Source of Spectrum C-99-3112-0
Synonyms 4-(4'-Carbomethoxy-6'-methylhept-2'-yl)cyclohex-1-enyl 2',2'-dimethylpropylene acetal Methyl 4-[4-(5,5-dimethyl-1,3-dioxan-2-yl)-3-cyclohexen-1-yl]-2-isobutylpentanoate
Wiley ID 1352185