| SpectraBase Compound ID | BAjhTndwE7C |
|---|---|
| InChI | InChI=1S/C16H19NO4/c1-3-13(11-8-6-5-7-9-11)17-10-12(14(18)15(17)19)16(20)21-4-2/h5-9,13,18H,3-4,10H2,1-2H3 |
| InChIKey | UGMGBHVWCMDCNR-UHFFFAOYSA-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 | FAg4ktEEAP0 |
|---|---|
| Name | 4-Hydroxy-5-oxo-1-(L-phenylpropyl)-3-pyrroline-3-carboxylic acid, ethyl 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/c1-3-13(11-8-6-5-7-9-11)17-10-12(14(18)15(17)19)16(20)21-4-2/h5-9,13,18H,3-4,10H2,1-2H3 |
| InChIKey | UGMGBHVWCMDCNR-UHFFFAOYSA-N |
| SMILES | OC1=C(CN(C1=O)C(C1=CC=CC=C1)CC)C(OCC)=O |