| SpectraBase Compound ID | CN19IpkaHLL |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,1-2H3 |
| InChIKey | JKPLQGXXESDJLY-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 | G9Rq9NUdTae |
|---|---|
| Name | 3,5-Dimethoxy-4-hydroxybenzonitrile |
| 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/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,1-2H3 |
| InChIKey | JKPLQGXXESDJLY-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)C#N)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962929 |