| SpectraBase Compound ID | DzUcNc12FKv |
|---|---|
| InChI | InChI=1S/C7H4N2O4/c8-3-4-1-5(9(12)13)7(11)6(10)2-4/h1-2,10-11H |
| InChIKey | JRBDMOJXCREXNN-UHFFFAOYSA-N |
| Mol Weight | 180.12 g/mol |
| Molecular Formula | C7H4N2O4 |
| Exact Mass | 180.017107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LS6C6ZoSrzV |
|---|---|
| Name | 3,4-Dihydroxy-5-nitrobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.017106613 u |
| Formula | C7H4N2O4 |
| InChI | InChI=1S/C7H4N2O4/c8-3-4-1-5(9(12)13)7(11)6(10)2-4/h1-2,10-11H |
| InChIKey | JRBDMOJXCREXNN-UHFFFAOYSA-N |
| Molecular Weight | 180.119 g/mol |
| SMILES | C1(=CC(=CC(=C1O)O)C#N)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825717 |