| SpectraBase Compound ID | FPtmLBrxfJU |
|---|---|
| InChI | InChI=1S/C21H18Br2FN/c22-19-8-3-5-16(11-19)13-25(14-17-6-4-9-20(23)12-17)15-18-7-1-2-10-21(18)24/h1-12H,13-15H2 |
| InChIKey | CPXRQORZBAEHHL-UHFFFAOYSA-N |
| Mol Weight | 463.19 g/mol |
| Molecular Formula | C21H18Br2FN |
| Exact Mass | 460.979004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJv0SHyDzfC |
|---|---|
| Name | 2-Fluorobenzylamine N,N-bis(3-bromobenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.979003747 u |
| Formula | C21H18Br2FN |
| InChI | InChI=1S/C21H18Br2FN/c22-19-8-3-5-16(11-19)13-25(14-17-6-4-9-20(23)12-17)15-18-7-1-2-10-21(18)24/h1-12H,13-15H2 |
| InChIKey | CPXRQORZBAEHHL-UHFFFAOYSA-N |
| Molecular Weight | 463.188 g/mol |
| SMILES | C(N(CC=1C=C(C=CC1)Br)CC1=CC(=CC=C1)Br)C=1C(=CC=CC1)F |