| SpectraBase Compound ID | HGDaYKLWLZe |
|---|---|
| InChI | InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)15-8-6-14(7-9-15)10(16)4-5-11(17)18/h4-9H2,1-3H3,(H,17,18) |
| InChIKey | ZLNADSVMXTWJPD-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C13H22N2O5 |
| Exact Mass | 286.152872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIKZKGCuLfg |
|---|---|
| Name | 4-(3-Carboxy-propionyl)-piperazine-1-carboxylic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.152871811 u |
| Formula | C13H22N2O5 |
| InChI | InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)15-8-6-14(7-9-15)10(16)4-5-11(17)18/h4-9H2,1-3H3,(H,17,18) |
| InChIKey | ZLNADSVMXTWJPD-UHFFFAOYSA-N |
| SMILES | C(N1CCN(CC1)C(=O)CCC(=O)O)(OC(C)(C)C)=O |