![3-Amino-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]propionic acid](/api/spectrum/JekmByYW4pX/structure.png?h=300&w=458 "3-Amino-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]propionic acid")
| SpectraBase Compound ID | 2mjUaS6UUp3 |
|---|---|
| InChI | InChI=1S/C12H16N2O5/c1-18-10-4-7(8(13)5-12(16)17)2-3-9(10)19-6-11(14)15/h2-4,8H,5-6,13H2,1H3,(H2,14,15)(H,16,17) |
| InChIKey | IXNFIEZDVQLKFQ-UHFFFAOYSA-N |
| Mol Weight | 268.27 g/mol |
| Molecular Formula | C12H16N2O5 |
| Exact Mass | 268.105922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JekmByYW4pX |
|---|---|
| Name | 3-Amino-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.105921618 u |
| Formula | C12H16N2O5 |
| InChI | InChI=1S/C12H16N2O5/c1-18-10-4-7(8(13)5-12(16)17)2-3-9(10)19-6-11(14)15/h2-4,8H,5-6,13H2,1H3,(H2,14,15)(H,16,17) |
| InChIKey | IXNFIEZDVQLKFQ-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C(=C1)OC)OCC(N)=O)C(CC(O)=O)N |