| SpectraBase Spectrum ID |
CxBJs1SFsUy |
| Name |
N-(2,4-Difluorophenyl)nicotinamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.060469211 u |
| Formula |
C12H8F2N2O |
| InChI |
InChI=1S/C12H8F2N2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17) |
| InChIKey |
NOCNRSXZPFJMMC-UHFFFAOYSA-N |
| Molecular Weight |
234.206 g/mol |
| SMILES |
C=1(NC(C2=CC=CN=C2)=O)C(=CC(F)=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937662 |
