| SpectraBase Compound ID | 4hHGyvqa2Z6 |
|---|---|
| InChI | InChI=1S/C21H18Br2ClN/c22-19-5-1-3-17(11-19)14-25(13-16-7-9-21(24)10-8-16)15-18-4-2-6-20(23)12-18/h1-12H,13-15H2 |
| InChIKey | KGKBHDHXSPBYKT-UHFFFAOYSA-N |
| Mol Weight | 479.64 g/mol |
| Molecular Formula | C21H18Br2ClN |
| Exact Mass | 476.949453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOFpetCDjS9 |
|---|---|
| Name | 4-Chlorobenzylamine N,N-bis(3-bromobenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 476.949453284 u |
| Formula | C21H18Br2ClN |
| InChI | InChI=1S/C21H18Br2ClN/c22-19-5-1-3-17(11-19)14-25(13-16-7-9-21(24)10-8-16)15-18-4-2-6-20(23)12-18/h1-12H,13-15H2 |
| InChIKey | KGKBHDHXSPBYKT-UHFFFAOYSA-N |
| Molecular Weight | 479.643 g/mol |
| SMILES | C(N(CC1=CC(=CC=C1)Br)CC1=CC=C(C=C1)Cl)C1=CC(=CC=C1)Br |