| SpectraBase Compound ID | 1QVR7WRQLeI |
|---|---|
| InChI | InChI=1S/C17H18BrFN2/c18-15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)17-4-2-1-3-16(17)19/h1-8H,9-13H2 |
| InChIKey | PDIHPFBKWSAOIA-UHFFFAOYSA-N |
| Mol Weight | 349.25 g/mol |
| Molecular Formula | C17H18BrFN2 |
| Exact Mass | 348.06374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1MJ9sUbWyf8 |
|---|---|
| Name | 1-(4-Bromobenzyl)-4-(2-fluorophenyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.063739751 u |
| Formula | C17H18BrFN2 |
| InChI | InChI=1S/C17H18BrFN2/c18-15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)17-4-2-1-3-16(17)19/h1-8H,9-13H2 |
| InChIKey | PDIHPFBKWSAOIA-UHFFFAOYSA-N |
| Molecular Weight | 349.247 g/mol |
| SMILES | C1(N2CCN(CC3=CC=C(C=C3)Br)CC2)=C(C=CC=C1)F |