| SpectraBase Compound ID | HWWvUK0NZnc |
|---|---|
| InChI | InChI=1S/C10H11N3O7/c1-20-10(15)8(5-14)11-7-3-2-6(12(16)17)4-9(7)13(18)19/h2-4,8,11,14H,5H2,1H3 |
| InChIKey | AQIKAGOIMCENKQ-UHFFFAOYSA-N |
| Mol Weight | 285.21 g/mol |
| Molecular Formula | C10H11N3O7 |
| Exact Mass | 285.0597 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLvEJimsaym |
|---|---|
| Name | Propanoic acid, 3-hydroxy-2-(2,4-dinitroanilino)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.059699699 u |
| Formula | C10H11N3O7 |
| InChI | InChI=1S/C10H11N3O7/c1-20-10(15)8(5-14)11-7-3-2-6(12(16)17)4-9(7)13(18)19/h2-4,8,11,14H,5H2,1H3 |
| InChIKey | AQIKAGOIMCENKQ-UHFFFAOYSA-N |
| Molecular Weight | 285.212 g/mol |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=C(NC(CO)C(OC)=O)C=C1 |