| SpectraBase Spectrum ID |
1EkSwJRiqWt |
| Name |
2-Cyclopropyl-3-(2-fluorobenzyl)-3H-quinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.116841273 u |
| Formula |
C18H15FN2O |
| InChI |
InChI=1S/C18H15FN2O/c19-15-7-3-1-5-13(15)11-21-17(12-9-10-12)20-16-8-4-2-6-14(16)18(21)22/h1-8,12H,9-11H2 |
| InChIKey |
BPNCPTKPDHNZIP-UHFFFAOYSA-N |
| Molecular Weight |
294.329 g/mol |
| SMILES |
C=1(N(C(C=2C(N1)=CC=CC2)=O)CC1=C(C=CC=C1)F)C1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843535 |
