![(2E)-4-oxo-4-[(1-phenylpropyl)amino]-2-butenoic acid](/api/spectrum/3hi4VMj5fRa/structure.png?h=300&w=458 "(2E)-4-oxo-4-[(1-phenylpropyl)amino]-2-butenoic acid")
| SpectraBase Compound ID | kXbSnrfmL5 |
|---|---|
| InChI | InChI=1S/C13H15NO3/c1-2-11(10-6-4-3-5-7-10)14-12(15)8-9-13(16)17/h3-9,11H,2H2,1H3,(H,14,15)(H,16,17)/b9-8+ |
| InChIKey | BAEZIAZBAGGVTC-CMDGGOBGSA-N |
| Mol Weight | 233.27 g/mol |
| Molecular Formula | C13H15NO3 |
| Exact Mass | 233.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3hi4VMj5fRa |
|---|---|
| Name | (2E)-4-oxo-4-[(1-Phenylpropyl)amino]-2-butenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.105193344 u |
| Formula | C13H15NO3 |
| InChI | InChI=1S/C13H15NO3/c1-2-11(10-6-4-3-5-7-10)14-12(15)8-9-13(16)17/h3-9,11H,2H2,1H3,(H,14,15)(H,16,17)/b9-8+ |
| InChIKey | BAEZIAZBAGGVTC-CMDGGOBGSA-N |
| Molecular Weight | 233.267 g/mol |
| SMILES | N(C(C1=CC=CC=C1)CC)C(\C=C\C(=O)O)=O |