| SpectraBase Compound ID | 2sbWJlENiuE |
|---|---|
| InChI | InChI=1S/C7H11NO4/c9-2-1-8-4-5(7(11)12)3-6(8)10/h5,9H,1-4H2,(H,11,12)/t5-/m1/s1 |
| InChIKey | LYORUPRFHVMNOI-RXMQYKEDSA-N |
| Mol Weight | 173.17 g/mol |
| Molecular Formula | C7H11NO4 |
| Exact Mass | 173.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2SrN9ot2R8m |
|---|---|
| Name | (3R)-1-(2-Hydroxyethyl)-5-keto-pyrrolidine-3-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.068807834 u |
| Formula | C7H11NO4 |
| InChI | InChI=1S/C7H11NO4/c9-2-1-8-4-5(7(11)12)3-6(8)10/h5,9H,1-4H2,(H,11,12)/t5-/m1/s1 |
| InChIKey | LYORUPRFHVMNOI-RXMQYKEDSA-N |
| Molecular Weight | 173.168 g/mol |
| SMILES | [C@@]1(C(=O)O)(CN(CCO)C(C1)=O)[H] |