| SpectraBase Spectrum ID |
A40pnTimdzL |
| Name |
N-(4-Methyl-2,6-dinitrophenyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.054220397 u |
| Formula |
C9H9N3O5 |
| InChI |
InChI=1S/C9H9N3O5/c1-5-3-7(11(14)15)9(10-6(2)13)8(4-5)12(16)17/h3-4H,1-2H3,(H,10,13) |
| InChIKey |
OFIDOLGSIHMBKD-UHFFFAOYSA-N |
| Molecular Weight |
239.187 g/mol |
| SMILES |
C1(N(=O)=O)=C(C(=CC(=C1)C)N(=O)=O)NC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981288 |
