| SpectraBase Compound ID | 5hKNWbk2oHG |
|---|---|
| InChI | InChI=1S/C15H11N3O4/c19-14-13(18(21)22)15(20)17(12-9-5-2-6-10-12)16(14)11-7-3-1-4-8-11/h1-10,13H |
| InChIKey | AVWXQTDOQZAJHQ-UHFFFAOYSA-N |
| Mol Weight | 297.27 g/mol |
| Molecular Formula | C15H11N3O4 |
| Exact Mass | 297.074956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | InWUAD3hZXW |
|---|---|
| Name | 3,5-Pyrazolidinedione, 4-nitro-1,2-diphenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.074955842 u |
| Formula | C15H11N3O4 |
| InChI | InChI=1S/C15H11N3O4/c19-14-13(18(21)22)15(20)17(12-9-5-2-6-10-12)16(14)11-7-3-1-4-8-11/h1-10,13H |
| InChIKey | AVWXQTDOQZAJHQ-UHFFFAOYSA-N |
| Molecular Weight | 297.270 g/mol |
| SMILES | C1(=O)N(N(C2=CC=CC=C2)C(C1N(=O)=O)=O)C1=CC=CC=C1 |