| SpectraBase Spectrum ID |
5SyhZq7bTBF |
| Name |
2-(3-Chlorophenylamino)-3-(3-phenyl-allylideneamino)-3H-quinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.109088882 u |
| Formula |
C23H17ClN4O |
| InChI |
InChI=1S/C23H17ClN4O/c24-18-11-6-12-19(16-18)26-23-27-21-14-5-4-13-20(21)22(29)28(23)25-15-7-10-17-8-2-1-3-9-17/h1-16H,(H,26,27)/b10-7+,25-15+ |
| InChIKey |
SIYRQDMKYIPYJX-WGXYEJQQSA-N |
| Molecular Weight |
400.869 g/mol |
| SMILES |
C=1(N(C(C=2C(N1)=CC=CC2)=O)\N=C\C=C\C1=CC=CC=C1)NC=1C=C(Cl)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843299 |
