| SpectraBase Spectrum ID |
2FjpJnJybEG |
| Name |
2-(4-Chloro-2-nitrobenzyl)pyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.035255236 u |
| Formula |
C12H9ClN2O2 |
| InChI |
InChI=1S/C12H9ClN2O2/c13-10-5-4-9(12(8-10)15(16)17)7-11-3-1-2-6-14-11/h1-6,8H,7H2 |
| InChIKey |
WEDOYIADPIJBGT-UHFFFAOYSA-N |
| Molecular Weight |
248.669 g/mol |
| SMILES |
C=1(C=CC=CN1)CC=1C(=CC(=CC1)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904642 |
