| SpectraBase Compound ID | IGW2odgrOP0 |
|---|---|
| InChI | InChI=1S/C6H4N2O6/c9-4-2-1-3(7(11)12)6(10)5(4)8(13)14/h1-2,9-10H |
| InChIKey | LQCKFXAPVKCRRU-UHFFFAOYSA-N |
| Mol Weight | 200.11 g/mol |
| Molecular Formula | C6H4N2O6 |
| Exact Mass | 200.006936 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JrbHWqeRIfw |
|---|---|
| Name | 2,4-Dinitroresorcinol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.006935851 u |
| Formula | C6H4N2O6 |
| InChI | InChI=1S/C6H4N2O6/c9-4-2-1-3(7(11)12)6(10)5(4)8(13)14/h1-2,9-10H |
| InChIKey | LQCKFXAPVKCRRU-UHFFFAOYSA-N |
| Molecular Weight | 200.106 g/mol |
| SMILES | N(=O)(=O)C=1C=CC(=C(C1O)N(=O)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.984539 |