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3-Cyclohexene-1-acetic acid, .alpha.-(3-methoxy-1,1-dimethyl-3-oxopropoxy)-.alpha.,4-dimethyl-, methyl ester
SpectraBase Compound ID CXilS8ocu07
InChI InChI=1S/C17H28O5/c1-12-7-9-13(10-8-12)17(4,15(19)21-6)22-16(2,3)11-14(18)20-5/h7,13H,8-11H2,1-6H3
InChIKey XWSYXZVFIYBLMS-UHFFFAOYSA-N
Mol Weight 312.41 g/mol
Molecular Formula C17H28O5
Exact Mass 312.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDVekStxRwL
Name 3-Cyclohexene-1-acetic acid, .alpha.-(3-methoxy-1,1-dimethyl-3-oxopropoxy)-.alpha.,4-dimethyl-, methyl ester
Alternate Name(s) Methyl 3-methyl-3-(1-[1-methyl-1-cyclohexen-4-yl]-1-methoxycarbonyl)ethoxybutanoic acid Methyl 3-[2-methoxy-1-methyl-1-(4-methyl-3-cyclohexen-1-yl)-2-oxoethoxy]-3-methylbutanoate
CAS Registry Number 68326-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O5
InChI InChI=1S/C17H28O5/c1-12-7-9-13(10-8-12)17(4,15(19)21-6)22-16(2,3)11-14(18)20-5/h7,13H,8-11H2,1-6H3
InChIKey XWSYXZVFIYBLMS-UHFFFAOYSA-N
Molecular Weight 312.406 g/mol
SMILES C(C(=O)OC)(OC(CC(=O)OC)(C)C)(C1CC=C(CC1)C)C
SPLASH splash10-0g4s-5900000000-8095834cb5562ea89510
Source of Spectrum F-34-602-0
Wiley ID 1313264