| SpectraBase Compound ID | IyATuH2HMUE |
|---|---|
| InChI | InChI=1S/C18H19F3N2/c19-18(20,21)16-6-4-5-15(13-16)14-22-9-11-23(12-10-22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2 |
| InChIKey | WZOKPLZWQAWTGI-UHFFFAOYSA-N |
| Mol Weight | 320.36 g/mol |
| Molecular Formula | C18H19F3N2 |
| Exact Mass | 320.150033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uybYPCysf7 |
|---|---|
| Name | 1-(3-Trifluoromethylbenzyl)-4-phenylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.150033109 u |
| Formula | C18H19F3N2 |
| InChI | InChI=1S/C18H19F3N2/c19-18(20,21)16-6-4-5-15(13-16)14-22-9-11-23(12-10-22)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2 |
| InChIKey | WZOKPLZWQAWTGI-UHFFFAOYSA-N |
| Molecular Weight | 320.359 g/mol |
| SMILES | C1(C(F)(F)F)=CC(CN2CCN(C3=CC=CC=C3)CC2)=CC=C1 |