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(1S,4S,8RS)-8-METHOXY-1,8-DIMETHYL-6-(2-PHENYLETHYNYL)-BICYCLO-[2.2.2]-OCT-5-EN-2-ONE
SpectraBase Compound ID 43DBCwcboSq
InChI InChI=1S/2C19H20O2/c2*1-18-13-19(2,21-3)16(12-17(18)20)11-15(18)10-9-14-7-5-4-6-8-14/h2*4-8,11,16H,12-13H2,1-3H3/t16-,18+,19+;16-,18+,19-/m00/s1
InChIKey LEECCZRJJNAFPW-JQIQXJIJSA-N
Mol Weight 560.73 g/mol
Molecular Formula C38H40O4
Exact Mass 560.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60YkQ3TGNke
Name (1S,4S,8RS)-8-METHOXY-1,8-DIMETHYL-6-(2-PHENYLETHYNYL)-BICYCLO-[2.2.2]-OCT-5-EN-2-ONE
Compound Number 16/17D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H40O4
InChI InChI=1S/2C19H20O2/c2*1-18-13-19(2,21-3)16(12-17(18)20)11-15(18)10-9-14-7-5-4-6-8-14/h2*4-8,11,16H,12-13H2,1-3H3/t16-,18+,19+;16-,18+,19-/m00/s1
InChIKey LEECCZRJJNAFPW-JQIQXJIJSA-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 560.733 g/mol
Solvent CDCl3
Source File Reference UWCS21641