| SpectraBase Spectrum ID |
FwLQQ1XJg9b |
| Name |
2-Methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-4(3H)-quinazolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.082347470 u |
| Formula |
C16H11F3N2O |
| InChI |
InChI=1S/C16H11F3N2O/c1-10-20-14-8-3-2-7-13(14)15(22)21(10)12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H3 |
| InChIKey |
YNDPTKFEXLQGTM-UHFFFAOYSA-N |
| Molecular Weight |
304.272 g/mol |
| SMILES |
C(F)(F)(F)C=1C=CC=C(C1)N1C(C=2C=CC=CC2N=C1C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.98005 |
