| SpectraBase Spectrum ID |
FGmKYc0tL5c |
| Name |
2-Chloro-N-(2,4-dinitrophenyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.999598000 u |
| Formula |
C8H6ClN3O5 |
| InChI |
InChI=1S/C8H6ClN3O5/c9-4-8(13)10-6-2-1-5(11(14)15)3-7(6)12(16)17/h1-3H,4H2,(H,10,13) |
| InChIKey |
BJYSEWOCLXWPLH-UHFFFAOYSA-N |
| Molecular Weight |
259.605 g/mol |
| SMILES |
C(Cl)C(=O)NC1=C(C=C(C=C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986907 |
