![4-oxo-4-[4-(2-Pyridinyl)-1-piperazinyl]butanoic acid](/api/spectrum/CnelseBaLcG/structure.png?h=300&w=458 "4-oxo-4-[4-(2-Pyridinyl)-1-piperazinyl]butanoic acid")
| SpectraBase Compound ID | 5KY2KyQNdxs |
|---|---|
| InChI | InChI=1S/C13H17N3O3/c17-12(4-5-13(18)19)16-9-7-15(8-10-16)11-3-1-2-6-14-11/h1-3,6H,4-5,7-10H2,(H,18,19) |
| InChIKey | XMGUUCBOUCQYNW-UHFFFAOYSA-N |
| Mol Weight | 263.3 g/mol |
| Molecular Formula | C13H17N3O3 |
| Exact Mass | 263.126991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CnelseBaLcG |
|---|---|
| Name | 4-oxo-4-[4-(2-Pyridinyl)-1-piperazinyl]butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.126991416 u |
| Formula | C13H17N3O3 |
| InChI | InChI=1S/C13H17N3O3/c17-12(4-5-13(18)19)16-9-7-15(8-10-16)11-3-1-2-6-14-11/h1-3,6H,4-5,7-10H2,(H,18,19) |
| InChIKey | XMGUUCBOUCQYNW-UHFFFAOYSA-N |
| Molecular Weight | 263.297 g/mol |
| SMILES | OC(CCC(=O)N1CCN(C=2N=CC=CC2)CC1)=O |