| SpectraBase Spectrum ID |
BL7GD3UBPO |
| Name |
3-(4-Fluorophenyl)-4(3H)-quinazolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.069891080 u |
| Formula |
C14H9FN2O |
| InChI |
InChI=1S/C14H9FN2O/c15-10-5-7-11(8-6-10)17-9-16-13-4-2-1-3-12(13)14(17)18/h1-9H |
| InChIKey |
LSQZIWQWHAXRQM-UHFFFAOYSA-N |
| Molecular Weight |
240.237 g/mol |
| SMILES |
C1(=O)N(C=NC2=C1C=CC=C2)C1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801366 |
