| SpectraBase Compound ID | JNxQhDx0562 |
|---|---|
| InChI | InChI=1S/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H |
| InChIKey | WHLUEIMENHLCMY-UHFFFAOYSA-N |
| Mol Weight | 373.92 g/mol |
| Molecular Formula | C7H4I2O2 |
| Exact Mass | 373.830069 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | TkTjJwXuwu |
|---|---|
| Name | 3,5-Diiodo-4-hydroxybenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.830069367 u |
| Formula | C7H4I2O2 |
| InChI | InChI=1S/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H |
| InChIKey | WHLUEIMENHLCMY-UHFFFAOYSA-N |
| Molecular Weight | 373.916 g/mol |
| SMILES | C1=C(C=C(C(=C1I)O)I)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857592 |