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2-[2-(4-BROMOPHENYL)-2-OXOETHYL]-2-(TRIFLUOROMETHYL)-HEPT-4-ENOIC-ACID-1-ETHYLALLYLESTER
SpectraBase Compound ID IAkOEgq6Aiw
InChI InChI=1S/C21H24BrF3O3/c1-4-7-8-13-20(21(23,24)25,19(27)28-17(5-2)6-3)14-18(26)15-9-11-16(22)12-10-15/h5,7-12,17H,2,4,6,13-14H2,1,3H3/b8-7+
InChIKey HQNFLGKLIRHDPK-BQYQJAHWSA-N
Mol Weight 461.32 g/mol
Molecular Formula C21H24BrF3O3
Exact Mass 460.086092 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPgLmE7GT4F
Name 2-[2-(4-BROMOPHENYL)-2-OXOETHYL]-2-(TRIFLUOROMETHYL)-HEPT-4-ENOIC-ACID-1-ETHYLALLYLESTER
Compound Number 15C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24BrF3O3
InChI InChI=1S/C21H24BrF3O3/c1-4-7-8-13-20(21(23,24)25,19(27)28-17(5-2)6-3)14-18(26)15-9-11-16(22)12-10-15/h5,7-12,17H,2,4,6,13-14H2,1,3H3/b8-7+
InChIKey HQNFLGKLIRHDPK-BQYQJAHWSA-N
Literature Reference Author K.BURGER,L.HENNIG,A.FUCHS,D.GREIF,J.SPENGLER,F.ALBERICIO
Literature Reference Citation MH.CHEM.,136,1763(2005)
Literature Reference DOI 10.1007/s00706-005-0366-z
Solvent CDCl3
Source File Reference UWSI24219