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5-DIMETHYLAMINO-5-[(1'',4''-DIOXASPIRO-[4.5]-DEC-6''-YL)-METHYL]-3-ETHOXY-1-(3'-TRIFLUOROMETHYLPHENYL)-1,3-CYCLOPENTADIENE;MAJOR-ISOMER

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-DIMETHYLAMINO-5-[(1'',4''-DIOXASPIRO-[4.5]-DEC-6''-YL)-METHYL]-3-ETHOXY-1-(3'-TRIFLUOROMETHYLPHENYL)-1,3-CYCLOPENTADIENE;MAJOR-ISOMER
SpectraBase Compound ID FNVMAMr7n0f
InChI InChI=1S/C25H32F3NO3/c1-4-30-21-15-22(18-8-7-10-19(14-18)25(26,27)28)23(17-21,29(2)3)16-20-9-5-6-11-24(20)31-12-13-32-24/h7-8,10,14-15,17,20H,4-6,9,11-13,16H2,1-3H3
InChIKey ZLSWASALPIMWEW-UHFFFAOYSA-N
Mol Weight 451.5 g/mol
Molecular Formula C25H32F3NO3
Exact Mass 451.233428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJhrmg23IUm
Name 5-DIMETHYLAMINO-5-[(1'',4''-DIOXASPIRO-[4.5]-DEC-6''-YL)-METHYL]-3-ETHOXY-1-(3'-TRIFLUOROMETHYLPHENYL)-1,3-CYCLOPENTADIENE;MINOR-ISOMER
Compound Number 6BG
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32F3NO3
InChI InChI=1S/C25H32F3NO3/c1-4-30-21-15-22(18-8-7-10-19(14-18)25(26,27)28)23(17-21,29(2)3)16-20-9-5-6-11-24(20)31-12-13-32-24/h7-8,10,14-15,17,20H,4-6,9,11-13,16H2,1-3H3
InChIKey ZLSWASALPIMWEW-UHFFFAOYSA-N
Literature Reference Author Y.T.WU,D.VIDOVIC,J.MAGULL,A.D.MEIJERE
Literature Reference Citation EUR.J.ORG.CHEM.,1625(2005)
Literature Reference DOI 10.1002/ejoc.200400858
Molecular Weight 451.529 g/mol
Sample ID 31029
Solvent CDCl3