![3-[4-(4-Fluorophenyl)-1-piperazinyl]-1-methyl-2,5-pyrrolidinedione](/api/spectrum/AxfRaDDmgij/structure.png?h=300&w=458 "3-[4-(4-Fluorophenyl)-1-piperazinyl]-1-methyl-2,5-pyrrolidinedione")
| SpectraBase Compound ID | HUVnRxQBedg |
|---|---|
| InChI | InChI=1S/C15H18FN3O2/c1-17-14(20)10-13(15(17)21)19-8-6-18(7-9-19)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3 |
| InChIKey | IJNXQOMREGZEBR-UHFFFAOYSA-N |
| Mol Weight | 291.33 g/mol |
| Molecular Formula | C15H18FN3O2 |
| Exact Mass | 291.138305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AxfRaDDmgij |
|---|---|
| Name | 3-[4-(4-Fluorophenyl)-1-piperazinyl]-1-methyl-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.138304993 u |
| Formula | C15H18FN3O2 |
| InChI | InChI=1S/C15H18FN3O2/c1-17-14(20)10-13(15(17)21)19-8-6-18(7-9-19)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3 |
| InChIKey | IJNXQOMREGZEBR-UHFFFAOYSA-N |
| Molecular Weight | 291.326 g/mol |
| SMILES | C1=CC(N2CCN(C3C(N(C(C3)=O)C)=O)CC2)=CC=C1F |