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1-BENZYL-4-[1-[(3,7-DIMETHYL-6-OCTENYL)-OXY]-2,2,2-TRIFLUOROETHYL]-PIPERAZINE
SpectraBase Compound ID 1x4w5K3PeAs
InChI InChI=1S/2C23H35F3N2O/c2*1-19(2)8-7-9-20(3)12-17-29-22(23(24,25)26)28-15-13-27(14-16-28)18-21-10-5-4-6-11-21/h2*4-6,8,10-11,20,22H,7,9,12-18H2,1-3H3
InChIKey WVNLSVHPUBALBR-UHFFFAOYSA-N
Mol Weight 825.1 g/mol
Molecular Formula C46H70F6N4O2
Exact Mass 824.540296 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AqVuG4npQI
Name 1-BENZYL-4-[1-[(3,7-DIMETHYL-6-OCTENYL)-OXY]-2,2,2-TRIFLUOROETHYL]-PIPERAZINE
Compound Number 2AB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H70F6N4O2
InChI InChI=1S/2C23H35F3N2O/c2*1-19(2)8-7-9-20(3)12-17-29-22(23(24,25)26)28-15-13-27(14-16-28)18-21-10-5-4-6-11-21/h2*4-6,8,10-11,20,22H,7,9,12-18H2,1-3H3
InChIKey WVNLSVHPUBALBR-UHFFFAOYSA-N
Literature Reference Author T.BILLARD,B.R.LANGLOIS
Literature Reference Citation J.ORG.CHEM.,67,997(2002)
Literature Reference DOI 10.1021/jo016265t
Solvent CDCl3
Source File Reference UWLU24877