| SpectraBase Compound ID | 7SuVuA9BNgL |
|---|---|
| InChI | InChI=1S/C21H13Br2N/c22-16-8-6-15(7-9-16)21-13-18(14-4-2-1-3-5-14)19-12-17(23)10-11-20(19)24-21/h1-13H |
| InChIKey | PXRVQOJGWRNAHW-UHFFFAOYSA-N |
| Mol Weight | 439.15 g/mol |
| Molecular Formula | C21H13Br2N |
| Exact Mass | 436.941475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gFeQ2pYKU1 |
|---|---|
| Name | 6-Bromo-2-(4-bromo-phenyl)-4-phenyl-quinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.941475423 u |
| Formula | C21H13Br2N |
| InChI | InChI=1S/C21H13Br2N/c22-16-8-6-15(7-9-16)21-13-18(14-4-2-1-3-5-14)19-12-17(23)10-11-20(19)24-21/h1-13H |
| InChIKey | PXRVQOJGWRNAHW-UHFFFAOYSA-N |
| Molecular Weight | 439.150 g/mol |
| SMILES | C1(=NC2=C(C(=C1)C1=CC=CC=C1)C=C(C=C2)Br)C1=CC=C(C=C1)Br |