| SpectraBase Compound ID | KLBIEjWrXtu |
|---|---|
| InChI | InChI=1S/C6H4I2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H |
| InChIKey | WYMUNTAGOVQDDU-UHFFFAOYSA-N |
| Mol Weight | 361.9 g/mol |
| Molecular Formula | C6H4I2O2 |
| Exact Mass | 361.830069 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EJIczZS83Nv |
|---|---|
| Name | 5,6-Diiododocatechol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.830069367 u |
| Formula | C6H4I2O2 |
| InChI | InChI=1S/C6H4I2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H |
| InChIKey | WYMUNTAGOVQDDU-UHFFFAOYSA-N |
| Molecular Weight | 361.905 g/mol |
| SMILES | C=1C(=C(I)C=C(C1O)O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955823 |