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(+/-)-2-EXO-BROMO-3-ENDO-BENZOXY-7-ENDO-PHENYL-7-EXO-METHYLBICYCLO-[3.2.0]-HEPT-6-ONE
SpectraBase Compound ID 3Tarh0kgSOr
InChI InChI=1S/C21H19BrO3/c1-21(14-10-6-3-7-11-14)17-15(19(21)23)12-16(18(17)22)25-20(24)13-8-4-2-5-9-13/h2-11,15-18H,12H2,1H3/t15-,16+,17-,18-,21+/m1/s1
InChIKey SQJJXIFOYYAEOT-KSZKVXGTSA-N
Mol Weight 399.28 g/mol
Molecular Formula C21H19BrO3
Exact Mass 398.051757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqUoQQUmJEk
Name (+/-)-2-EXO-BROMO-3-ENDO-BENZOXY-7-ENDO-PHENYL-7-EXO-METHYLBICYCLO-[3.2.0]-HEPT-6-ONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19BrO3
InChI InChI=1S/C21H19BrO3/c1-21(14-10-6-3-7-11-14)17-15(19(21)23)12-16(18(17)22)25-20(24)13-8-4-2-5-9-13/h2-11,15-18H,12H2,1H3/t15-,16+,17-,18-,21+/m1/s1
InChIKey SQJJXIFOYYAEOT-KSZKVXGTSA-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 399.284 g/mol
Solvent CDCl3
Source File Reference UWVN28607