![(E)-4-keto-4-[(2-phenylacetyl)amino]but-2-enoic acid amyl ester](/api/spectrum/Js3GXDHofpH/structure.png?h=300&w=458 "(E)-4-keto-4-[(2-phenylacetyl)amino]but-2-enoic acid amyl ester")
| SpectraBase Compound ID | GLzXdxSjNve |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-2-3-7-12-22-17(21)11-10-15(19)18-16(20)13-14-8-5-4-6-9-14/h4-6,8-11H,2-3,7,12-13H2,1H3,(H,18,19,20)/b11-10+ |
| InChIKey | VETNTIRKFOSZAI-ZHACJKMWSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Js3GXDHofpH |
|---|---|
| Name | (E)-4-Keto-4-[(2-phenylacetyl)amino]but-2-enoic acid amyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-2-3-7-12-22-17(21)11-10-15(19)18-16(20)13-14-8-5-4-6-9-14/h4-6,8-11H,2-3,7,12-13H2,1H3,(H,18,19,20)/b11-10+ |
| InChIKey | VETNTIRKFOSZAI-ZHACJKMWSA-N |
| SMILES | C(NC(\C=C\C(=O)OCCCCC)=O)(=O)CC=1C=CC=CC1 |