| SpectraBase Compound ID | L4h5Xli4rl8 |
|---|---|
| InChI | InChI=1S/C12H9N3O4/c16-14(17)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15(18)19/h1-8,13H |
| InChIKey | TXJIDOLTOGSNPD-UHFFFAOYSA-N |
| Mol Weight | 259.22 g/mol |
| Molecular Formula | C12H9N3O4 |
| Exact Mass | 259.059306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yqX52MjbLr |
|---|---|
| Name | Benzenamine, 2-nitro-N-(4-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.059305778 u |
| Formula | C12H9N3O4 |
| InChI | InChI=1S/C12H9N3O4/c16-14(17)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15(18)19/h1-8,13H |
| InChIKey | TXJIDOLTOGSNPD-UHFFFAOYSA-N |
| Molecular Weight | 259.221 g/mol |
| SMILES | C1(NC2=CC=C(C=C2)N(=O)=O)=C(N(=O)=O)C=CC=C1 |