| SpectraBase Compound ID | 7UH5eKyQSMV |
|---|---|
| InChI | InChI=1S/C16H12Br2N2O/c1-9-5-3-4-6-14(9)20-10(2)19-15-12(16(20)21)7-11(17)8-13(15)18/h3-8H,1-2H3 |
| InChIKey | CJACSOIWUCGWST-UHFFFAOYSA-N |
| Mol Weight | 408.09 g/mol |
| Molecular Formula | C16H12Br2N2O |
| Exact Mass | 405.931639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrvRWUPWyTP |
|---|---|
| Name | 6,8-Dibromo-2-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.931639013 u |
| Formula | C16H12Br2N2O |
| InChI | InChI=1S/C16H12Br2N2O/c1-9-5-3-4-6-14(9)20-10(2)19-15-12(16(20)21)7-11(17)8-13(15)18/h3-8H,1-2H3 |
| InChIKey | CJACSOIWUCGWST-UHFFFAOYSA-N |
| Molecular Weight | 408.093 g/mol |
| SMILES | C=1C=CC(N2C(C=3C=C(Br)C=C(C3N=C2C)Br)=O)=C(C)C1 |