| SpectraBase Compound ID | wtlhX6gSRI |
|---|---|
| InChI | InChI=1S/C6H4N4O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,7H2 |
| InChIKey | IAHOUQOWMXVMEH-UHFFFAOYSA-N |
| Mol Weight | 228.12 g/mol |
| Molecular Formula | C6H4N4O6 |
| Exact Mass | 228.013084 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KI9JUN1KRQw |
|---|---|
| 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 | 228.013083859 u |
| Formula | C6H4N4O6 |
| InChI | InChI=1S/C6H4N4O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,7H2 |
| InChIKey | IAHOUQOWMXVMEH-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C(=C(C=C(C1)N(=O)=O)N(=O)=O)N |
| Spectrum/Structure Validation Score (Raman) | 0.998076 |