| SpectraBase Spectrum ID |
8gbIQpRvYlc |
| Name |
N'-Acetyl-4-(2-phenyl-6,8-dibromo-4-oxo-(4H)quinazolin-3-yl)benzohydrazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
553.958916388 u |
| Formula |
C23H16Br2N4O3 |
| InChI |
InChI=1S/C23H16Br2N4O3/c1-13(30)27-28-22(31)15-7-9-17(10-8-15)29-21(14-5-3-2-4-6-14)26-20-18(23(29)32)11-16(24)12-19(20)25/h2-12H,1H3,(H,27,30)(H,28,31) |
| InChIKey |
XDSFTQCHXXCCLX-UHFFFAOYSA-N |
| Molecular Weight |
556.214 g/mol |
| SMILES |
C1(N(C(=NC=2C(=CC(=CC12)Br)Br)C1=CC=CC=C1)C1=CC=C(C(NNC(=O)C)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814786 |
