| SpectraBase Compound ID | 2jcTrdDEjGx |
|---|---|
| InChI | InChI=1S/C9H8INO2/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-4,12H,2H2,1H3 |
| InChIKey | IVSLDCBERYFMQU-UHFFFAOYSA-N |
| Mol Weight | 289.07 g/mol |
| Molecular Formula | C9H8INO2 |
| Exact Mass | 288.959973 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KHCV8Ef1EiS |
|---|---|
| Name | 3-Ethoxy-4-hydroxy-5-iodo-benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.959973500 u |
| Formula | C9H8INO2 |
| InChI | InChI=1S/C9H8INO2/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-4,12H,2H2,1H3 |
| InChIKey | IVSLDCBERYFMQU-UHFFFAOYSA-N |
| Molecular Weight | 289.072 g/mol |
| SMILES | C1(=CC(=CC(=C1O)I)C#N)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965225 |