| SpectraBase Compound ID | 6CfeXVO4e0y |
|---|---|
| InChI | InChI=1S/C19H18N2O3/c1-2-16(22)13-17-18(23)20(14-9-5-3-6-10-14)21(19(17)24)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3 |
| InChIKey | NRMWWGMODWFQHJ-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C19H18N2O3 |
| Exact Mass | 322.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEx9o00PXqA |
|---|---|
| Name | 1,2-Diphenyl-4-(2-oxobutyl)-3,5-pyrazolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.131742445 u |
| Formula | C19H18N2O3 |
| InChI | InChI=1S/C19H18N2O3/c1-2-16(22)13-17-18(23)20(14-9-5-3-6-10-14)21(19(17)24)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3 |
| InChIKey | NRMWWGMODWFQHJ-UHFFFAOYSA-N |
| Molecular Weight | 322.364 g/mol |
| SMILES | C=1C(=CC=CC1)N1N(C(C(C1=O)CC(CC)=O)=O)C=1C=CC=CC1 |