![5-[4-(3-Chlorophenyl)-1-piperazinyl]-5-oxopentanoic acid](/api/spectrum/IunNzDj790n/structure.png?h=300&w=458 "5-[4-(3-Chlorophenyl)-1-piperazinyl]-5-oxopentanoic acid")
| SpectraBase Compound ID | 3oEmL0NT7Ug |
|---|---|
| InChI | InChI=1S/C15H19ClN2O3/c16-12-3-1-4-13(11-12)17-7-9-18(10-8-17)14(19)5-2-6-15(20)21/h1,3-4,11H,2,5-10H2,(H,20,21) |
| InChIKey | DYHIYKFBLHNKCE-UHFFFAOYSA-N |
| Mol Weight | 310.78 g/mol |
| Molecular Formula | C15H19ClN2O3 |
| Exact Mass | 310.10842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IunNzDj790n |
|---|---|
| Name | 5-[4-(3-Chlorophenyl)-1-piperazinyl]-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.108420177 u |
| Formula | C15H19ClN2O3 |
| InChI | InChI=1S/C15H19ClN2O3/c16-12-3-1-4-13(11-12)17-7-9-18(10-8-17)14(19)5-2-6-15(20)21/h1,3-4,11H,2,5-10H2,(H,20,21) |
| InChIKey | DYHIYKFBLHNKCE-UHFFFAOYSA-N |
| Molecular Weight | 310.781 g/mol |
| SMILES | OC(CCCC(N1CCN(CC1)C1=CC(Cl)=CC=C1)=O)=O |