| SpectraBase Compound ID | C7v8q8OpAF0 |
|---|---|
| InChI | InChI=1S/C21H19Br2N/c1-16-6-2-3-11-21(16)24(14-17-7-4-9-19(22)12-17)15-18-8-5-10-20(23)13-18/h2-13H,14-15H2,1H3 |
| InChIKey | UJLSTMMASJGETK-UHFFFAOYSA-N |
| Mol Weight | 445.2 g/mol |
| Molecular Formula | C21H19Br2N |
| Exact Mass | 442.988426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1ttRRXbZTp |
|---|---|
| Name | N,N-bis(3-Bromobenzyl)-2-methylaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.988425616 u |
| Formula | C21H19Br2N |
| InChI | InChI=1S/C21H19Br2N/c1-16-6-2-3-11-21(16)24(14-17-7-4-9-19(22)12-17)15-18-8-5-10-20(23)13-18/h2-13H,14-15H2,1H3 |
| InChIKey | UJLSTMMASJGETK-UHFFFAOYSA-N |
| Molecular Weight | 445.198 g/mol |
| SMILES | C=1(N(CC2=CC(=CC=C2)Br)CC=2C=C(C=CC2)Br)C(=CC=CC1)C |