| SpectraBase Compound ID | JulJdKII42h |
|---|---|
| InChI | InChI=1S/C11H18N2O5/c1-2-18-11(17)13-7-5-12(6-8-13)9(14)3-4-10(15)16/h2-8H2,1H3,(H,15,16) |
| InChIKey | QJLXDKRZISVFJW-UHFFFAOYSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C11H18N2O5 |
| Exact Mass | 258.121572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDByQIw9MyR |
|---|---|
| Name | 4-(3-Carboxy-propionyl)-piperazine-1-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.121571683 u |
| Formula | C11H18N2O5 |
| InChI | InChI=1S/C11H18N2O5/c1-2-18-11(17)13-7-5-12(6-8-13)9(14)3-4-10(15)16/h2-8H2,1H3,(H,15,16) |
| InChIKey | QJLXDKRZISVFJW-UHFFFAOYSA-N |
| Molecular Weight | 258.274 g/mol |
| SMILES | C(N1CCN(CC1)C(=O)CCC(=O)O)(=O)OCC |