![(E)-4-keto-4-[(2-phenylacetyl)amino]but-2-enoic acid butyl ester](/api/spectrum/KkuyVDGxkHJ/structure.png?h=300&w=458 "(E)-4-keto-4-[(2-phenylacetyl)amino]but-2-enoic acid butyl ester")
| SpectraBase Compound ID | Hf3qClsPSvX |
|---|---|
| InChI | InChI=1S/C16H19NO4/c1-2-3-11-21-16(20)10-9-14(18)17-15(19)12-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H,17,18,19)/b10-9+ |
| InChIKey | IWAQJKAMBYFCBQ-MDZDMXLPSA-N |
| Mol Weight | 289.33 g/mol |
| Molecular Formula | C16H19NO4 |
| Exact Mass | 289.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkuyVDGxkHJ |
|---|---|
| Name | (E)-4-Keto-4-[(2-phenylacetyl)amino]but-2-enoic acid butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.131408092 u |
| Formula | C16H19NO4 |
| InChI | InChI=1S/C16H19NO4/c1-2-3-11-21-16(20)10-9-14(18)17-15(19)12-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H,17,18,19)/b10-9+ |
| InChIKey | IWAQJKAMBYFCBQ-MDZDMXLPSA-N |
| SMILES | C(NC(\C=C\C(=O)OCCCC)=O)(=O)CC=1C=CC=CC1 |