| SpectraBase Compound ID | 98ZyQLbh9IC |
|---|---|
| InChI | InChI=1S/C10H11N3O7/c1-5(14)9(10(15)16)11-7-3-2-6(12(17)18)4-8(7)13(19)20/h2-5,9,11,14H,1H3,(H,15,16) |
| InChIKey | PWOCOTZWYFGDMO-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 | A2C3anJ4077 |
|---|---|
| Name | N-(2,4-Dinitrophenyl)-dl-threonine |
| 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/c1-5(14)9(10(15)16)11-7-3-2-6(12(17)18)4-8(7)13(19)20/h2-5,9,11,14H,1H3,(H,15,16) |
| InChIKey | PWOCOTZWYFGDMO-UHFFFAOYSA-N |
| Molecular Weight | 285.212 g/mol |
| SMILES | N(C=1C(=CC(=CC1)N(=O)=O)N(=O)=O)C(C(O)=O)C(O)C |