| SpectraBase Compound ID | 4RgapcVS3Vo |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-3-18-11-6-4-10(5-7-11)12(8-13(16)17)14-9(2)15/h4-7,12H,3,8H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | OODFNSFRXFOACA-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 556rnT1YdXQ |
|---|---|
| Name | N-Acetyl-3-(4-ethoxyphenyl)-beta-alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-3-18-11-6-4-10(5-7-11)12(8-13(16)17)14-9(2)15/h4-7,12H,3,8H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | OODFNSFRXFOACA-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | N(C(CC(=O)O)C=1C=CC(=CC1)OCC)C(=O)C |