| SpectraBase Compound ID | 6CRTI4IQDgu |
|---|---|
| InChI | InChI=1S/C7H3N3O6/c8-2-3-6(11)4(9(13)14)1-5(7(3)12)10(15)16/h1,11-12H |
| InChIKey | IQAGZMAPZCHPJO-UHFFFAOYSA-N |
| Mol Weight | 225.12 g/mol |
| Molecular Formula | C7H3N3O6 |
| Exact Mass | 225.002185 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Cz5DJQq5Sfl |
|---|---|
| Name | 2,6-Dihydroxy-3,5-dinitrobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.002184823 u |
| Formula | C7H3N3O6 |
| InChI | InChI=1S/C7H3N3O6/c8-2-3-6(11)4(9(13)14)1-5(7(3)12)10(15)16/h1,11-12H |
| InChIKey | IQAGZMAPZCHPJO-UHFFFAOYSA-N |
| Molecular Weight | 225.116 g/mol |
| SMILES | N(=O)(=O)C1=C(C(=C(C(=C1)N(=O)=O)O)C#N)O |
| Spectrum/Structure Validation Score (Raman) | 0.994334 |