| SpectraBase Spectrum ID |
2z273GRHOtx |
| Name |
2-(4-Fluoranyl-3-phenoxy-phenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.133634152 u |
| Formula |
C26H18F2N2O2 |
| InChI |
InChI=1S/C26H18F2N2O2/c27-18-11-13-19(14-12-18)30-25(29-23-9-5-4-8-21(23)26(30)31)17-10-15-22(28)24(16-17)32-20-6-2-1-3-7-20/h1-16,25,29H |
| InChIKey |
AUXFUDUBMSYLMF-UHFFFAOYSA-N |
| Molecular Weight |
428.439 g/mol |
| SMILES |
C=1C=CC(OC=2C=C(C3N(C(C=4C=CC=CC4N3)=O)C=3C=CC(=CC3)F)C=CC2F)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922682 |
