| SpectraBase Compound ID | 4cIcBGGKFXE |
|---|---|
| InChI | InChI=1S/C16H13BrN2O/c1-10-4-3-5-13(8-10)19-11(2)18-15-7-6-12(17)9-14(15)16(19)20/h3-9H,1-2H3 |
| InChIKey | SHBRCIZDAAHJRK-UHFFFAOYSA-N |
| Mol Weight | 329.2 g/mol |
| Molecular Formula | C16H13BrN2O |
| Exact Mass | 328.021126 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 | ChDiLMg39m2 |
|---|---|
| Name | 6-Bromo-2-methyl-3-(3-methylphenyl)-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.021126046 u |
| Formula | C16H13BrN2O |
| InChI | InChI=1S/C16H13BrN2O/c1-10-4-3-5-13(8-10)19-11(2)18-15-7-6-12(17)9-14(15)16(19)20/h3-9H,1-2H3 |
| InChIKey | SHBRCIZDAAHJRK-UHFFFAOYSA-N |
| Molecular Weight | 329.197 g/mol |
| SMILES | CC=1C=C(N2C(C=3C=C(Br)C=CC3N=C2C)=O)C=CC1 |