| SpectraBase Spectrum ID |
qNRIMYhGMC |
| Name |
4-Fluoro-N-(3-pyridinyl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.069891080 u |
| Formula |
C12H9FN2O |
| InChI |
InChI=1S/C12H9FN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16) |
| InChIKey |
AILCVPMYLXWTCO-UHFFFAOYSA-N |
| Molecular Weight |
216.215 g/mol |
| SMILES |
C1(F)=CC=C(C=C1)C(=O)NC1=CN=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960029 |
