| SpectraBase Compound ID | FG0cByb6wBA |
|---|---|
| InChI | InChI=1S/C6H5IO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H |
| InChIKey | DWOPERRUKLPBFG-UHFFFAOYSA-N |
| Mol Weight | 236.01 g/mol |
| Molecular Formula | C6H5IO2 |
| Exact Mass | 235.933424 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I4PVM8NitF9 |
|---|---|
| Name | 1,3-Benzenediol, 4-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.933424399 u |
| Formula | C6H5IO2 |
| InChI | InChI=1S/C6H5IO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H |
| InChIKey | DWOPERRUKLPBFG-UHFFFAOYSA-N |
| Molecular Weight | 236.008 g/mol |
| SMILES | C1(O)=CC(O)=CC=C1I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884225 |