| SpectraBase Compound ID | LXjoFr4Q9Xx |
|---|---|
| InChI | InChI=1S/C12H15NO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7H,1-3H3,(H,13,14)(H,15,16) |
| InChIKey | OUJNNJMRBONNJK-UHFFFAOYSA-N |
| Mol Weight | 253.25 g/mol |
| Molecular Formula | C12H15NO5 |
| Exact Mass | 253.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZM8aLpA40W |
|---|---|
| Name | 2-(2,6-Dimethoxy-benzoylamino)-propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.095022582 u |
| Formula | C12H15NO5 |
| InChI | InChI=1S/C12H15NO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7H,1-3H3,(H,13,14)(H,15,16) |
| InChIKey | OUJNNJMRBONNJK-UHFFFAOYSA-N |
| Molecular Weight | 253.254 g/mol |
| SMILES | COC1=C(C(=O)NC(C)C(O)=O)C(OC)=CC=C1 |