| SpectraBase Compound ID | 1dIziVlK68f |
|---|---|
| InChI | InChI=1S/C17H18BrFN2/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)17-7-2-1-6-16(17)19/h1-7,12H,8-11,13H2 |
| InChIKey | GBXWUGINWBNQBK-UHFFFAOYSA-N |
| Mol Weight | 349.25 g/mol |
| Molecular Formula | C17H18BrFN2 |
| Exact Mass | 348.06374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGZoElQF4Wx |
|---|---|
| Name | 1-(3-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/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)17-7-2-1-6-16(17)19/h1-7,12H,8-11,13H2 |
| InChIKey | GBXWUGINWBNQBK-UHFFFAOYSA-N |
| Molecular Weight | 349.247 g/mol |
| SMILES | C1(N2CCN(CC=3C=C(C=CC3)Br)CC2)=C(C=CC=C1)F |