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(+/-)-2-EXO-BROMO-3-ENDO-BENZOXY-7-ENDO-PHENYL-7-EXO-BROMOBICYCLO-[3.2.0]-HEPT-6-ONE
SpectraBase Compound ID J6RoVddAyy3
InChI InChI=1S/C20H16BrClO3/c21-17-15(25-19(24)12-7-3-1-4-8-12)11-14-16(17)20(22,18(14)23)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15+,16-,17-,20-/m1/s1
InChIKey FYVNZYLEWARRJO-QRXRQMIZSA-N
Mol Weight 419.7 g/mol
Molecular Formula C20H16BrClO3
Exact Mass 417.997135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQDsCEzkHoO
Name (+/-)-2-EXO-BROMO-3-ENDO-BENZOXY-7-ENDO-PHENYL-7-EXO-BROMOBICYCLO-[3.2.0]-HEPT-6-ONE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16BrClO3
InChI InChI=1S/C20H16BrClO3/c21-17-15(25-19(24)12-7-3-1-4-8-12)11-14-16(17)20(22,18(14)23)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15+,16-,17-,20-/m1/s1
InChIKey FYVNZYLEWARRJO-QRXRQMIZSA-N
Literature Reference Author I.J.S.FAIRLAMB,J.M.DICKINSON,R.OCONNOR,S.HIGSON,L.GRIEVESON, V.MARIN
Literature Reference Citation BIOORG.MED.CHEM.,10,2641(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00090-1
Molecular Weight 419.702 g/mol
Solvent CDCl3
Source File Reference UWVN28603