| SpectraBase Compound ID | Kna5x02F1L5 |
|---|---|
| InChI | InChI=1S/C10H7BrN4O4/c1-6-8(11)5-13(12-6)9-3-2-7(14(16)17)4-10(9)15(18)19/h2-5H,1H3 |
| InChIKey | HRVBSYVFQAKVEC-UHFFFAOYSA-N |
| Mol Weight | 327.09 g/mol |
| Molecular Formula | C10H7BrN4O4 |
| Exact Mass | 325.965068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DlVu5TBYMIN |
|---|---|
| Name | 4-Bromo-1-(2,4-dinitrophenyl)-3-methylpyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.965067717 u |
| Formula | C10H7BrN4O4 |
| InChI | InChI=1S/C10H7BrN4O4/c1-6-8(11)5-13(12-6)9-3-2-7(14(16)17)4-10(9)15(18)19/h2-5H,1H3 |
| InChIKey | HRVBSYVFQAKVEC-UHFFFAOYSA-N |
| Molecular Weight | 327.094 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C(=C1)N(=O)=O)N1C=C(C(=N1)C)Br |