| SpectraBase Compound ID | Gkb8jvU6eFC |
|---|---|
| InChI | InChI=1S/C13H9BrN4O5/c14-9-3-1-8(2-4-9)13(19)16-15-11-6-5-10(17(20)21)7-12(11)18(22)23/h1-7,15H,(H,16,19) |
| InChIKey | CGAPLZJINLXFBQ-UHFFFAOYSA-N |
| Mol Weight | 381.14 g/mol |
| Molecular Formula | C13H9BrN4O5 |
| Exact Mass | 379.975632 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4xWeSZyjzh |
|---|---|
| Name | 4-Bromobenzoic acid, 2,4-dinitrophenylhydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.975632401 u |
| Formula | C13H9BrN4O5 |
| InChI | InChI=1S/C13H9BrN4O5/c14-9-3-1-8(2-4-9)13(19)16-15-11-6-5-10(17(20)21)7-12(11)18(22)23/h1-7,15H,(H,16,19) |
| InChIKey | CGAPLZJINLXFBQ-UHFFFAOYSA-N |
| Molecular Weight | 381.142 g/mol |
| SMILES | C1=C(C=CC(=C1)Br)C(=O)NNC1=C(C=C(C=C1)N(=O)=O)N(=O)=O |