| SpectraBase Spectrum ID |
67ZBU9ZCh6i |
| Name |
4-Acetamido-N-methyl-3-nitrobenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.074955842 u |
| Formula |
C10H11N3O4 |
| InChI |
InChI=1S/C10H11N3O4/c1-6(14)12-8-4-3-7(10(15)11-2)5-9(8)13(16)17/h3-5H,1-2H3,(H,11,15)(H,12,14) |
| InChIKey |
YGYFNXHRYSAALM-UHFFFAOYSA-N |
| Molecular Weight |
237.215 g/mol |
| SMILES |
C1=C(C=CC(=C1N(=O)=O)NC(C)=O)C(NC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860357 |
