| SpectraBase Compound ID | 5okeJ17CtBU |
|---|---|
| InChI | InChI=1S/C7H7N3O4/c1-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,8H2,1H3 |
| InChIKey | MOOOPNRPJGZXPE-UHFFFAOYSA-N |
| Mol Weight | 197.15 g/mol |
| Molecular Formula | C7H7N3O4 |
| Exact Mass | 197.043656 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GvfpuokNIYV |
|---|---|
| Name | 2,6-Dinitro-p-toluidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.043655713 u |
| Formula | C7H7N3O4 |
| InChI | InChI=1S/C7H7N3O4/c1-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,8H2,1H3 |
| InChIKey | MOOOPNRPJGZXPE-UHFFFAOYSA-N |
| Molecular Weight | 197.150 g/mol |
| SMILES | N(=O)(=O)C=1C(=C(C=C(C1)C)N(=O)=O)N |
| Spectrum/Structure Validation Score (Raman) | 0.990433 |