| SpectraBase Compound ID | 3tqnTGXMPdt |
|---|---|
| InChI | InChI=1S/C9H9N3O6/c13-9(14)3-4-10-7-2-1-6(11(15)16)5-8(7)12(17)18/h1-2,5,10H,3-4H2,(H,13,14) |
| InChIKey | XSSZEVXYIHNWQO-UHFFFAOYSA-N |
| Mol Weight | 255.19 g/mol |
| Molecular Formula | C9H9N3O6 |
| Exact Mass | 255.049135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30Trl48IBoY |
|---|---|
| Name | 3-(2,4-Dinitrophenylamino)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.049135016 u |
| Formula | C9H9N3O6 |
| InChI | InChI=1S/C9H9N3O6/c13-9(14)3-4-10-7-2-1-6(11(15)16)5-8(7)12(17)18/h1-2,5,10H,3-4H2,(H,13,14) |
| InChIKey | XSSZEVXYIHNWQO-UHFFFAOYSA-N |
| Molecular Weight | 255.186 g/mol |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=C(NCCC(=O)O)C=C1 |