| SpectraBase Compound ID | 2EzCpCk1dkE |
|---|---|
| InChI | InChI=1S/C9H12N4O4/c10-4-1-5-11-8-3-2-7(12(14)15)6-9(8)13(16)17/h2-3,6,11H,1,4-5,10H2 |
| InChIKey | WQYQCAZWHZNUGX-UHFFFAOYSA-N |
| Mol Weight | 240.22 g/mol |
| Molecular Formula | C9H12N4O4 |
| Exact Mass | 240.085855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Di719Lzfo94 |
|---|---|
| Name | N-(2,4-Dinitrophenyl)-1,3-propanediamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.085854878 u |
| Formula | C9H12N4O4 |
| InChI | InChI=1S/C9H12N4O4/c10-4-1-5-11-8-3-2-7(12(14)15)6-9(8)13(16)17/h2-3,6,11H,1,4-5,10H2 |
| InChIKey | WQYQCAZWHZNUGX-UHFFFAOYSA-N |
| SMILES | N(C=1C=CC(=CC1N(=O)=O)N(=O)=O)CCCN |