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1-(2-BROMOETHYL)-2-[(1'E)-2'-(2'',6'',6''-TRIMETHYL-1''-CYCLOHEXEN-1''-YL)-ETHENYL]-4(1H)-QUINOLONE
SpectraBase Compound ID B5RHk5aPYMu
InChI InChI=1S/C22H26BrNO/c1-16-7-6-12-22(2,3)19(16)11-10-17-15-21(25)18-8-4-5-9-20(18)24(17)14-13-23/h4-5,8-11,15H,6-7,12-14H2,1-3H3/b11-10+
InChIKey KCHKISRTPRWEEM-ZHACJKMWSA-N
Mol Weight 400.36 g/mol
Molecular Formula C22H26BrNO
Exact Mass 399.119777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LyclOMnLx53
Name 1-(2-BROMOETHYL)-2-[(1'E)-2'-(2'',6'',6''-TRIMETHYL-1''-CYCLOHEXEN-1''-YL)-ETHENYL]-4(1H)-QUINOLONE
Compound Number 2 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26BrNO
InChI InChI=1S/C22H26BrNO/c1-16-7-6-12-22(2,3)19(16)11-10-17-15-21(25)18-8-4-5-9-20(18)24(17)14-13-23/h4-5,8-11,15H,6-7,12-14H2,1-3H3/b11-10+
InChIKey KCHKISRTPRWEEM-ZHACJKMWSA-N
Literature Reference Author A.WUBE,A.HUEFNER,W.SEEBACHER,M.KAISER,R.BRUN,R.BAUER,F.BUCAR
Literature Reference Citation MOLECULES,19,14204(2014)
Literature Reference DOI 10.3390/molecules190914204
Molecular Weight 400.359 g/mol
Solvent CDCl3
Source File Reference UWIR15363