| SpectraBase Spectrum ID |
K0KN0aby4ER |
| Name |
2-(1,2-Dibromo-2-(3-nitrophenyl)ethyl)-3-phenyl-quinazolin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.948017352 u |
| Formula |
C22H15Br2N3O3 |
| InChI |
InChI=1S/C22H15Br2N3O3/c23-19(14-7-6-10-16(13-14)27(29)30)20(24)21-25-18-12-5-4-11-17(18)22(28)26(21)15-8-2-1-3-9-15/h1-13,19-20H |
| InChIKey |
VUMDFJJQXXUXMA-UHFFFAOYSA-N |
| Molecular Weight |
529.188 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(N(C(=N2)C(C(Br)C=1C=CC=C(N(=O)=O)C1)Br)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841077 |
