| SpectraBase Compound ID | 7KYD6EIXxnS |
|---|---|
| InChI | InChI=1S/C13H19NO4/c1-3-6-18-11-5-4-9(7-12(11)17-2)10(14)8-13(15)16/h4-5,7,10H,3,6,8,14H2,1-2H3,(H,15,16) |
| InChIKey | SNUPQGVALNOUFX-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 | HGhLDjiXWBw |
|---|---|
| Name | 3-Amino-3-(3-methoxy-4-propoxy-phenyl)-propionic acid |
| 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/c1-3-6-18-11-5-4-9(7-12(11)17-2)10(14)8-13(15)16/h4-5,7,10H,3,6,8,14H2,1-2H3,(H,15,16) |
| InChIKey | SNUPQGVALNOUFX-UHFFFAOYSA-N |
| Molecular Weight | 253.298 g/mol |
| SMILES | C(C(=O)O)C(C1=CC(OC)=C(C=C1)OCCC)N |