| SpectraBase Spectrum ID |
CBpqVa7DQF |
| Name |
4(1H)-Quinolinone, 2-(trifluoromethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
213.040148305 u |
| Formula |
C10H6F3NO |
| InChI |
InChI=1S/C10H6F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h1-5H,(H,14,15) |
| InChIKey |
SUNAMHNJYSQUPL-UHFFFAOYSA-N |
| Molecular Weight |
213.159 g/mol |
| SMILES |
C1=C2C(=CC=C1)NC(C(F)(F)F)=CC2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871274 |