| SpectraBase Compound ID | JAiCrbCTVI |
|---|---|
| InChI | InChI=1S/C22H20Br2FN/c23-20-9-5-17(6-10-20)15-26(16-18-7-11-21(24)12-8-18)14-13-19-3-1-2-4-22(19)25/h1-12H,13-16H2 |
| InChIKey | YKJPISUCUQWSMP-UHFFFAOYSA-N |
| Mol Weight | 477.22 g/mol |
| Molecular Formula | C22H20Br2FN |
| Exact Mass | 474.994654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4KinlXD39s |
|---|---|
| Name | 2-Fluorophenethylamine N,N-bis(4-bromobenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.994653811 u |
| Formula | C22H20Br2FN |
| InChI | InChI=1S/C22H20Br2FN/c23-20-9-5-17(6-10-20)15-26(16-18-7-11-21(24)12-8-18)14-13-19-3-1-2-4-22(19)25/h1-12H,13-16H2 |
| InChIKey | YKJPISUCUQWSMP-UHFFFAOYSA-N |
| Molecular Weight | 477.215 g/mol |
| SMILES | C=1(C(=CC=CC1)F)CCN(CC=1C=CC(=CC1)Br)CC=1C=CC(=CC1)Br |