| SpectraBase Spectrum ID |
9at39dSniep |
| Name |
2-(4-Aminophenyl)quinazolin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.090211985 u |
| Formula |
C14H11N3O |
| InChI |
InChI=1S/C14H11N3O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18) |
| InChIKey |
PHQBXCTZDRMXMX-UHFFFAOYSA-N |
| Molecular Weight |
237.262 g/mol |
| SMILES |
C1(=O)NC(=NC2=C1C=CC=C2)C1=CC=C(C=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876152 |
