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(1S,4S,8RS)-8-METHOXY-1,8-DIMETHYL-6-(4-METHYLPHENYL)-BICYCLO-[2.2.2]-OCT-5-EN-2-ONE
SpectraBase Compound ID IFtCxuCb9TQ
InChI InChI=1S/2C18H22O2/c2*1-12-5-7-13(8-6-12)15-9-14-10-16(19)17(15,2)11-18(14,3)20-4/h2*5-9,14H,10-11H2,1-4H3/t14-,17+,18+;14-,17+,18-/m00/s1
InChIKey IHASKDDJSLRJGK-ZDTVGRHDSA-N
Mol Weight 540.74 g/mol
Molecular Formula C36H44O4
Exact Mass 540.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHMxm7WqQcM
Name (1S,4S,8RS)-8-METHOXY-1,8-DIMETHYL-6-(4-METHYLPHENYL)-BICYCLO-[2.2.2]-OCT-5-EN-2-ONE
Compound Number 16/17A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44O4
InChI InChI=1S/2C18H22O2/c2*1-12-5-7-13(8-6-12)15-9-14-10-16(19)17(15,2)11-18(14,3)20-4/h2*5-9,14H,10-11H2,1-4H3/t14-,17+,18+;14-,17+,18-/m00/s1
InChIKey IHASKDDJSLRJGK-ZDTVGRHDSA-N
Literature Reference Author A.SRIKRISHNA,G.V.R.SHARMA,S.DANIELDOSS,P.HEMAMALINI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1305(1996)
Literature Reference DOI 10.1039/p19960001305
Molecular Weight 540.743 g/mol
Solvent CDCl3
Source File Reference UWCS21638