| SpectraBase Compound ID | 6VsUxcEV8PX |
|---|---|
| InChI | InChI=1S/C13H17NO2/c1-2-16-13(15)9-8-12(14)10-11-6-4-3-5-7-11/h3-9,12H,2,10,14H2,1H3/b9-8+ |
| InChIKey | OSOJJKZDZDPLSA-CMDGGOBGSA-N |
| Mol Weight | 219.28 g/mol |
| Molecular Formula | C13H17NO2 |
| Exact Mass | 219.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RjHoa2fQGh |
|---|---|
| Name | 2-(E)-Pentenoic acid, (4S)-amino-5-phenyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.125928789 u |
| Formula | C13H17NO2 |
| InChI | InChI=1S/C13H17NO2/c1-2-16-13(15)9-8-12(14)10-11-6-4-3-5-7-11/h3-9,12H,2,10,14H2,1H3/b9-8+ |
| InChIKey | OSOJJKZDZDPLSA-CMDGGOBGSA-N |
| Molecular Weight | 219.284 g/mol |
| SMILES | C1=CC=CC(=C1)C[C@@](\C=C\C(OCC)=O)(N)[H] |