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1-BENZYL-4-(2,2,2-TRIFLUORO-1-[[(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL]-OXY]-ETHYL)-PIPERAZINE

View entire compound with spectra: 2 NMR

1-BENZYL-4-(2,2,2-TRIFLUORO-1-[[(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL]-OXY]-ETHYL)-PIPERAZINE
SpectraBase Compound ID JtxmYNSvgCJ
InChI InChI=1S/2C23H35F3N2O/c2*1-17(2)20-10-9-18(3)15-21(20)29-22(23(24,25)26)28-13-11-27(12-14-28)16-19-7-5-4-6-8-19/h2*4-8,17-18,20-22H,9-16H2,1-3H3/t2*18-,20+,21-,22?/m10/s1
InChIKey SGAREBSZIJQAJI-KQVWMUIDSA-N
Mol Weight 825.1 g/mol
Molecular Formula C46H70F6N4O2
Exact Mass 824.540296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LScjNkgwDH
Name 1-BENZYL-4-(2,2,2-TRIFLUORO-1-[[(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL]-OXY]-ETHYL)-PIPERAZINE
Compound Number 2AC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H70F6N4O2
InChI InChI=1S/2C23H35F3N2O/c2*1-17(2)20-10-9-18(3)15-21(20)29-22(23(24,25)26)28-13-11-27(12-14-28)16-19-7-5-4-6-8-19/h2*4-8,17-18,20-22H,9-16H2,1-3H3/t2*18-,20+,21-,22?/m10/s1
InChIKey SGAREBSZIJQAJI-KQVWMUIDSA-N
Literature Reference Author T.BILLARD,B.R.LANGLOIS
Literature Reference Citation J.ORG.CHEM.,67,997(2002)
Literature Reference DOI 10.1021/jo016265t
Molecular Weight 825.078 g/mol
Solvent CDCl3
Source File Reference UWLU24878