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Bicyclo[3.2.1]octane-2-acetic acid, 6,6-dimethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]-8-oxo-, methyl ester, exo-(.+-.)-
SpectraBase Compound ID 5XW8D6pDauZ
InChI InChI=1S/C18H28O5/c1-16(2)10-18(11-17(3)22-7-8-23-17)12(9-14(19)21-4)5-6-13(16)15(18)20/h12-13H,5-11H2,1-4H3
InChIKey XRRBNQLRGUEDPI-UHFFFAOYSA-N
Mol Weight 324.42 g/mol
Molecular Formula C18H28O5
Exact Mass 324.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LzZiJK38sd
Name Bicyclo[3.2.1]octane-2-acetic acid, 6,6-dimethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]-8-oxo-, methyl ester, exo-(.+-.)-
CAS Registry Number 89116-44-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O5
InChI InChI=1S/C18H28O5/c1-16(2)10-18(11-17(3)22-7-8-23-17)12(9-14(19)21-4)5-6-13(16)15(18)20/h12-13H,5-11H2,1-4H3
InChIKey XRRBNQLRGUEDPI-UHFFFAOYSA-N
Molecular Weight 324.417 g/mol
SMILES C12(C(C(C(C2)(C)C)CCC1CC(=O)OC)=O)CC1(OCCO1)C
SPLASH splash10-000i-9003000000-6840d66e2ae955fc3e8b
Source of Spectrum F-39-3243-0
Synonyms Ethylene ketal of (1s+,2r+,5r+)-1-(2-oxopropyl)-2-hydroxyethyl-6,6-dimethylbicyclo[3.2.1]octan-8-one Ketal derivative of (1s+,2r+,5r+)-1-(2-oxopropyl)-2-(methoxycarbonylmethyl)-6,6-dimethylbecyclo[3.2.1]octan-8-one Methyl {6,6-dimethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]-8-oxobicyclo[3.2.1]oct-2-yl}acetate
Wiley ID 1323204