| SpectraBase Compound ID | DZNYT2t2CEy |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-12-8-4-7(11)3-6(5-10)9(8)13-2/h3-4,11H,1-2H3 |
| InChIKey | AZQGCWIUTPTOOV-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CGgoxgVbJ31 |
|---|---|
| Name | 5-Hydroxy-2,3-dimethoxybenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.058243151 u |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-12-8-4-7(11)3-6(5-10)9(8)13-2/h3-4,11H,1-2H3 |
| InChIKey | AZQGCWIUTPTOOV-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C=1(C(=C(OC)C=C(C1)O)OC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870898 |