![1-BENZYL-4-[1-[(3,7-DIMETHYL-6-OCTENYL)-OXY]-2,2,2-TRIFLUOROETHYL]-PIPERAZINE](/api/spectrum/Jq1vUdyV36O/structure.png?h=300&w=458 "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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jq1vUdyV36O |
|---|---|
| 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 |
| Molecular Weight | 825.078 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU24877 |