![1-Cyclopentyl-4-[2-(trifluoromethyl)benzyl]piperazine](/api/spectrum/5NY2Pr4MowQ/structure.png?h=300&w=458 "1-Cyclopentyl-4-[2-(trifluoromethyl)benzyl]piperazine")
| SpectraBase Compound ID | 8sXgsvD38bH |
|---|---|
| InChI | InChI=1S/C17H23F3N2/c18-17(19,20)16-8-4-1-5-14(16)13-21-9-11-22(12-10-21)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2 |
| InChIKey | LRYPLCXKSMOJTK-UHFFFAOYSA-N |
| Mol Weight | 312.38 g/mol |
| Molecular Formula | C17H23F3N2 |
| Exact Mass | 312.181333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NY2Pr4MowQ |
|---|---|
| Name | 1-Cyclopentyl-4-[2-(trifluoromethyl)benzyl]piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.181333238 u |
| Formula | C17H23F3N2 |
| InChI | InChI=1S/C17H23F3N2/c18-17(19,20)16-8-4-1-5-14(16)13-21-9-11-22(12-10-21)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2 |
| InChIKey | LRYPLCXKSMOJTK-UHFFFAOYSA-N |
| Molecular Weight | 312.380 g/mol |
| SMILES | C1N(CCN(C1)CC1=C(C=CC=C1)C(F)(F)F)C1CCCC1 |