| SpectraBase Compound ID | 7KvcjRHG2mY |
|---|---|
| InChI | InChI=1S/C16H19N3O3/c1-17-14(20)11-13(16(17)22)18-7-9-19(10-8-18)15(21)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3 |
| InChIKey | HKAMRVFRGGSXLI-UHFFFAOYSA-N |
| Mol Weight | 301.35 g/mol |
| Molecular Formula | C16H19N3O3 |
| Exact Mass | 301.142641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbTH2Ay7Fj2 |
|---|---|
| Name | 3-(4-Benzoyl-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 | 301.142641481 u |
| Formula | C16H19N3O3 |
| InChI | InChI=1S/C16H19N3O3/c1-17-14(20)11-13(16(17)22)18-7-9-19(10-8-18)15(21)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3 |
| InChIKey | HKAMRVFRGGSXLI-UHFFFAOYSA-N |
| Molecular Weight | 301.346 g/mol |
| SMILES | C1=CC=C(C(N2CCN(C3C(N(C(C3)=O)C)=O)CC2)=O)C=C1 |