| SpectraBase Spectrum ID |
LPqKyB8F5B |
| Name |
N-Isopropyl-3,5-dinitrobenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.069870461 u |
| Formula |
C10H11N3O5 |
| InChI |
InChI=1S/C10H11N3O5/c1-6(2)11-10(14)7-3-8(12(15)16)5-9(4-7)13(17)18/h3-6H,1-2H3,(H,11,14) |
| InChIKey |
HDBVLHIQSYYAII-UHFFFAOYSA-N |
| Molecular Weight |
253.214 g/mol |
| SMILES |
C1(N(=O)=O)=CC(=CC(=C1)C(=O)NC(C)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897991 |
