| SpectraBase Compound ID | 3dytTklr8Vw |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3 |
| InChIKey | WFLQXECQLHZKMV-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AuUOrb583T |
|---|---|
| Name | 2-Amino-4-phenyl-butyric acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3 |
| InChIKey | WFLQXECQLHZKMV-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C(C(N)CCC=1C=CC=CC1)(=O)OCC |