| SpectraBase Spectrum ID |
EHLvm9JpfxR |
| Name |
2-(4-(2-Phenyl-6,8-dibromo-4-oxo-(4H)quinazolin-3-yl))-N-phenylamido benzoic acid hydrazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
630.985465489 u |
| Formula |
C28H19Br2N5O3 |
| InChI |
InChI=1S/C28H19Br2N5O3/c29-20-15-22-24(23(30)16-20)31-25(17-8-3-1-4-9-17)35(28(22)38)21-13-7-12-19(14-21)27(37)33-34-32-26(36)18-10-5-2-6-11-18/h1-16,34H,(H,32,36)(H,33,37) |
| InChIKey |
QDNFNSQWOAXBCJ-UHFFFAOYSA-N |
| Molecular Weight |
633.300 g/mol |
| SMILES |
C1(N(C(=NC2=C(C=C(C=C12)Br)Br)C1=CC=CC=C1)C1=CC(C(NNNC(=O)C=2C=CC=CC2)=O)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928335 |
