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2-(4-ALLYL-1-OXO-CYCLOHEX-2-EN-3-YL)-ENDO/EXO-7-[1,1-(ETHYLENEDIOXY)-ETH-1-YL]-2-AZA-BICYCLO-[2.2.2]-OCT-5-ENE;(DIASTEREOMERIC_MIXTURE)

View entire compound with spectra: 1 NMR

2-(4-ALLYL-1-OXO-CYCLOHEX-2-EN-3-YL)-ENDO/EXO-7-[1,1-(ETHYLENEDIOXY)-ETH-1-YL]-2-AZA-BICYCLO-[2.2.2]-OCT-5-ENE;(DIASTEREOMERIC_MIXTURE)
SpectraBase Compound ID 7eSoV5kfdO6
InChI InChI=1S/2C20H27NO3/c2*1-3-4-15-6-7-16(22)12-19(15)21-13-14-5-8-18(21)17(11-14)20(2)23-9-10-24-20/h2*3,5,8,12,14-15,17-18H,1,4,6-7,9-11,13H2,2H3/t14-,15+,17?,18+;14-,15-,17?,18+/m00/s1
InChIKey ITYJGUQVGNVCFO-KEBCWSNGSA-N
Mol Weight 658.88 g/mol
Molecular Formula C40H54N2O6
Exact Mass 658.398187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCsKED57rj0
Name 2-(4-ALLYL-1-OXO-CYCLOHEX-2-EN-3-YL)-ENDO/EXO-7-[1,1-(ETHYLENEDIOXY)-ETH-1-YL]-2-AZA-BICYCLO-[2.2.2]-OCT-5-ENE;(DIASTEREOMERIC_MIXTURE)
CAS Registry Number 78890-91-2
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H54N2O6
InChI InChI=1S/2C20H27NO3/c2*1-3-4-15-6-7-16(22)12-19(15)21-13-14-5-8-18(21)17(11-14)20(2)23-9-10-24-20/h2*3,5,8,12,14-15,17-18H,1,4,6-7,9-11,13H2,2H3/t14-,15+,17?,18+;14-,15-,17?,18+/m00/s1
InChIKey ITYJGUQVGNVCFO-KEBCWSNGSA-N
Literature Reference Author Y.L.CHEN,P.S.MARIANO,G.M.LITTLE,D.O'BRIEN,P.L.HUESMANN
Literature Reference Citation J.ORG.CHEM.,46,4643(1981)
Literature Reference DOI 10.1021/jo00336a002
Molecular Weight 658.879 g/mol
Solvent CDCl3
Source File Reference UWED7083