![3-[(2-Carboxy-ethyl)-(2-hydroxy-phenyl)-amino]-propionic acid](/api/spectrum/HTzJaKvVkoa/structure.png?h=300&w=458 "3-[(2-Carboxy-ethyl)-(2-hydroxy-phenyl)-amino]-propionic acid")
| SpectraBase Compound ID | DMFi5STrPQG |
|---|---|
| InChI | InChI=1S/C12H15NO5/c14-10-4-2-1-3-9(10)13(7-5-11(15)16)8-6-12(17)18/h1-4,14H,5-8H2,(H,15,16)(H,17,18) |
| InChIKey | WJZFWBLXSVKSEY-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 | HTzJaKvVkoa |
|---|---|
| Name | 3-[(2-Carboxy-ethyl)-(2-hydroxy-phenyl)-amino]-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/c14-10-4-2-1-3-9(10)13(7-5-11(15)16)8-6-12(17)18/h1-4,14H,5-8H2,(H,15,16)(H,17,18) |
| InChIKey | WJZFWBLXSVKSEY-UHFFFAOYSA-N |
| Molecular Weight | 253.254 g/mol |
| SMILES | C1=CC=C(N(CCC(=O)O)CCC(=O)O)C(=C1)O |