| SpectraBase Compound ID | 7pg1BEgwhmI |
|---|---|
| InChI | InChI=1S/C5H7NO3/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H2,6,7)/b3-2+ |
| InChIKey | VNVPVYUTTNLIEE-NSCUHMNNSA-N |
| Mol Weight | 129.11 g/mol |
| Molecular Formula | C5H7NO3 |
| Exact Mass | 129.042593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ljkatMkwbw |
|---|---|
| Name | (E)-4-Amino-4-keto-but-2-enoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.042593086 u |
| Formula | C5H7NO3 |
| InChI | InChI=1S/C5H7NO3/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H2,6,7)/b3-2+ |
| InChIKey | VNVPVYUTTNLIEE-NSCUHMNNSA-N |
| Molecular Weight | 129.115 g/mol |
| SMILES | C(\C=C\C(=O)OC)(=O)N |