| SpectraBase Compound ID | D6wT9t0tg3N |
|---|---|
| InChI | InChI=1S/C12H11N3O2/c13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15(16)17/h1-8,14H,13H2 |
| InChIKey | VQVJMSMIMXHFNL-UHFFFAOYSA-N |
| Mol Weight | 229.24 g/mol |
| Molecular Formula | C12H11N3O2 |
| Exact Mass | 229.085127 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | C4xyBzTXKJu |
|---|---|
| Name | N-(o-Nitrophenyl)-o-phenylenediamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.085126604 u |
| Formula | C12H11N3O2 |
| InChI | InChI=1S/C12H11N3O2/c13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15(16)17/h1-8,14H,13H2 |
| InChIKey | VQVJMSMIMXHFNL-UHFFFAOYSA-N |
| SMILES | N(C1=CC=CC=C1N)C1=C(C=CC=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.838413 |