| SpectraBase Compound ID | J1gFBCPT577 |
|---|---|
| InChI | InChI=1S/C9H9IO3/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-5,12H,2H2,1H3 |
| InChIKey | WFAHCDLEWJKPJS-UHFFFAOYSA-N |
| Mol Weight | 292.07 g/mol |
| Molecular Formula | C9H9IO3 |
| Exact Mass | 291.959639 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3BQN0Pic6EE |
|---|---|
| Name | 3-Ethoxy-4-hydroxy-5-iodobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.959639147 u |
| Formula | C9H9IO3 |
| InChI | InChI=1S/C9H9IO3/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-5,12H,2H2,1H3 |
| InChIKey | WFAHCDLEWJKPJS-UHFFFAOYSA-N |
| Molecular Weight | 292.072 g/mol |
| SMILES | C1(I)=C(C(=CC(=C1)C=O)OCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951357 |