| SpectraBase Compound ID | AOw7WIq7MwP |
|---|---|
| InChI | InChI=1S/C13H19NO4/c1-4-18-13(15)10(14)7-9-5-6-11(16-2)12(8-9)17-3/h5-6,8,10H,4,7,14H2,1-3H3 |
| InChIKey | CKPXBRGEMOUHQJ-UHFFFAOYSA-N |
| Mol Weight | 253.3 g/mol |
| Molecular Formula | C13H19NO4 |
| Exact Mass | 253.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vlGWTPlW1k |
|---|---|
| Name | 2-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.131408092 u |
| Formula | C13H19NO4 |
| InChI | InChI=1S/C13H19NO4/c1-4-18-13(15)10(14)7-9-5-6-11(16-2)12(8-9)17-3/h5-6,8,10H,4,7,14H2,1-3H3 |
| InChIKey | CKPXBRGEMOUHQJ-UHFFFAOYSA-N |
| Molecular Weight | 253.298 g/mol |
| SMILES | NC(Cc1cc(c(cc1)OC)OC)C(OCC)=O |