| SpectraBase Compound ID | LQADe5gSRcM |
|---|---|
| InChI | InChI=1S/C12H8BrN3O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H |
| InChIKey | CSJQUFZYIASQTA-UHFFFAOYSA-N |
| Mol Weight | 338.12 g/mol |
| Molecular Formula | C12H8BrN3O4 |
| Exact Mass | 336.969819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ijk2qwUG7a2 |
|---|---|
| Name | 4'-Bromo-2,4-dinitrodiphenylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.969818746 u |
| Formula | C12H8BrN3O4 |
| InChI | InChI=1S/C12H8BrN3O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H |
| InChIKey | CSJQUFZYIASQTA-UHFFFAOYSA-N |
| Molecular Weight | 338.117 g/mol |
| SMILES | N(C=1C=CC(=CC1)Br)C=1C(=CC(=CC1)N(=O)=O)N(=O)=O |