| SpectraBase Compound ID | ETyT9aundck |
|---|---|
| InChI | InChI=1S/C21H15BrN2O/c22-16-10-12-17(13-11-16)24-20(14-15-6-2-1-3-7-15)23-19-9-5-4-8-18(19)21(24)25/h1-13H,14H2 |
| InChIKey | DETIAXIKPYTTCV-UHFFFAOYSA-N |
| Mol Weight | 391.27 g/mol |
| Molecular Formula | C21H15BrN2O |
| Exact Mass | 390.036776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IEMBQsPM0QL |
|---|---|
| Name | 2-Benzyl-3-(4-bromophenyl)-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.036776110 u |
| Formula | C21H15BrN2O |
| InChI | InChI=1S/C21H15BrN2O/c22-16-10-12-17(13-11-16)24-20(14-15-6-2-1-3-7-15)23-19-9-5-4-8-18(19)21(24)25/h1-13H,14H2 |
| InChIKey | DETIAXIKPYTTCV-UHFFFAOYSA-N |
| Molecular Weight | 391.268 g/mol |
| SMILES | C1=CC=C(CC=2N(C(C3=CC=CC=C3N2)=O)C=2C=CC(=CC2)Br)C=C1 |