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Bicyclo[2.2.2]octanone, 4,7,7-trimethyl-5-[1-oxo-3-(4,6,6-trimethyl-2-oxo-3-cyclohexen-1-yl)propyl]-
SpectraBase Compound ID 1ZhGJOOSS0J
InChI InChI=1S/C23H34O3/c1-14-9-19(25)15(21(2,3)11-14)7-8-18(24)17-10-16-20(26)12-23(17,6)13-22(16,4)5/h9,15-17H,7-8,10-13H2,1-6H3
InChIKey NRWIUKQHAPNTFX-UHFFFAOYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuhB4FAqCTn
Name Bicyclo[2.2.2]octanone, 4,7,7-trimethyl-5-[1-oxo-3-(4,6,6-trimethyl-2-oxo-3-cyclohexen-1-yl)propyl]-
CAS Registry Number 130877-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-14-9-19(25)15(21(2,3)11-14)7-8-18(24)17-10-16-20(26)12-23(17,6)13-22(16,4)5/h9,15-17H,7-8,10-13H2,1-6H3
InChIKey NRWIUKQHAPNTFX-UHFFFAOYSA-N
Molecular Weight 358.522 g/mol
SMILES C12(C(CC(C(C2)=O)C(C1)(C)C)C(CCC1C(C=C(CC1(C)C)C)=O)=O)C
SPLASH splash10-00di-2911000000-c639ac7d9aee6b86091c
Source of Spectrum KC-1990-2112-14
Synonyms 4,7,7-trimethyl-5-[3-(4,6,6-trimethyl-2-oxo-3-cyclohexen-1-yl)propanoyl]bicyclo[2.2.2]octan-2-one {4,6,6-trimethyl-2-oxobicyclo[2.2.2]octan-8-yl}[3,5,5-trimethyl-1-oxocyclohex-2-en-6-yl]ketone
Wiley ID 1347418