| SpectraBase Compound ID | BNlfZFKSGB1 |
|---|---|
| InChI | InChI=1S/C16H19NO4/c1-11(2)10-21-16(20)13-9-17(15(19)14(13)18)8-12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3 |
| InChIKey | MGUDZLPKUFWIBL-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 | GSOPqMvYrB |
|---|---|
| Name | 1-Benzyl-4-hydroxy-5-oxo-3-pyrroline-3-carboxylic acid, isobutyl 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/c1-11(2)10-21-16(20)13-9-17(15(19)14(13)18)8-12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3 |
| InChIKey | MGUDZLPKUFWIBL-UHFFFAOYSA-N |
| Molecular Weight | 289.331 g/mol |
| SMILES | OC1=C(CN(C1=O)CC1=CC=CC=C1)C(OCC(C)C)=O |