| SpectraBase Compound ID | 2cu1Rx3pjYE |
|---|---|
| InChI | InChI=1S/C7H4N2O6/c10-3-4-1-5(8(12)13)7(11)6(2-4)9(14)15/h1-3,11H |
| InChIKey | DFAVWLKOYKKDFX-UHFFFAOYSA-N |
| Mol Weight | 212.12 g/mol |
| Molecular Formula | C7H4N2O6 |
| Exact Mass | 212.006936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7tTK0OYa6oT |
|---|---|
| Name | 3,5-Dinitro-4-hydroxybenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.006935851 u |
| Formula | C7H4N2O6 |
| InChI | InChI=1S/C7H4N2O6/c10-3-4-1-5(8(12)13)7(11)6(2-4)9(14)15/h1-3,11H |
| InChIKey | DFAVWLKOYKKDFX-UHFFFAOYSA-N |
| Molecular Weight | 212.117 g/mol |
| SMILES | C1(=CC(=CC(=C1O)N(=O)=O)C=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915556 |