| SpectraBase Spectrum ID |
36eCVlRkxsW |
| Name |
3-(Pentafluorobenzyl)quinazolin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.047853667 u |
| Formula |
C15H7F5N2O |
| InChI |
InChI=1S/C15H7F5N2O/c16-10-8(11(17)13(19)14(20)12(10)18)5-22-6-21-9-4-2-1-3-7(9)15(22)23/h1-4,6H,5H2 |
| InChIKey |
ZJOGHCIZXLMRCM-UHFFFAOYSA-N |
| Molecular Weight |
326.226 g/mol |
| SMILES |
C1(=C(C(F)=C(C(=C1F)F)F)F)CN1C(C=2C=CC=CC2N=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921576 |
