| SpectraBase Spectrum ID |
2quBqdIYcLy |
| Name |
3-(4-Trifluoromethylbenzoyl)pyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.055798370 u |
| Formula |
C13H8F3NO |
| InChI |
InChI=1S/C13H8F3NO/c14-13(15,16)11-5-3-9(4-6-11)12(18)10-2-1-7-17-8-10/h1-8H |
| InChIKey |
KUCXNAXAAXKXGV-UHFFFAOYSA-N |
| Molecular Weight |
251.208 g/mol |
| SMILES |
C(C=1C=CC(C(C=2C=NC=CC2)=O)=CC1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911747 |
