![1,2-Benzenediamine, N-[(2-nitrophenyl)methylene]-](/api/spectrum/2v4GTqaWnqk/structure.png?h=300&w=458 "1,2-Benzenediamine, N-[(2-nitrophenyl)methylene]-")
| SpectraBase Compound ID | L9uYBubyazB |
|---|---|
| InChI | InChI=1S/C13H11N3O2/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16(17)18/h1-9H,14H2/b15-9+ |
| InChIKey | MSGQBWYVTOURRI-OQLLNIDSSA-N |
| Mol Weight | 241.25 g/mol |
| Molecular Formula | C13H11N3O2 |
| Exact Mass | 241.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2v4GTqaWnqk |
|---|---|
| Name | 1,2-Benzenediamine, N-[(2-nitrophenyl)methylene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.085126604 u |
| Formula | C13H11N3O2 |
| InChI | InChI=1S/C13H11N3O2/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16(17)18/h1-9H,14H2/b15-9+ |
| InChIKey | MSGQBWYVTOURRI-OQLLNIDSSA-N |
| Molecular Weight | 241.250 g/mol |
| SMILES | C=1(N(=O)=O)C(\C=N\C=2C(N)=CC=CC2)=CC=CC1 |