| SpectraBase Compound ID | FGvSmnIPjTj |
|---|---|
| InChI | 1S/C6H7N3O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,7-8H2 |
| InChIKey | IOCXBXZBNOYTLQ-UHFFFAOYSA-N |
| Mol Weight | 153.14 g/mol |
| Molecular Formula | C6H7N3O2 |
| Exact Mass | 153.053826 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | A4XARFevlfY |
|---|---|
| Name | 3-Nitro-o-phenylenediamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.053826475 u |
| Formula | C6H7N3O2 |
| InChI | InChI=1S/C6H7N3O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,7-8H2 |
| InChIKey | IOCXBXZBNOYTLQ-UHFFFAOYSA-N |
| SMILES | NC=1C(=C(C=CC1)N(=O)=O)N |
| Spectrum/Structure Validation Score (Raman) | 0.889308 |