| SpectraBase Compound ID | LRxppTfvzaT |
|---|---|
| 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 |
| Mol Weight | 253.21 g/mol |
| Molecular Formula | C10H11N3O5 |
| Exact Mass | 253.06987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XvOFJwHOu3 |
|---|---|
| Name | N-Isopropyl-3,5-dinitrobenzamide |
| Comments | Computed using HOSE algorithm |
| 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 |