| SpectraBase Compound ID | 7pISbZSVEmO |
|---|---|
| InChI | InChI=1S/C6H4ClIO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H |
| InChIKey | JKPLMQJLGBBFLO-UHFFFAOYSA-N |
| Mol Weight | 254.45 g/mol |
| Molecular Formula | C6H4ClIO |
| Exact Mass | 253.899537 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4D10QKxZXS0 |
|---|---|
| Name | 4-Chloro-2-iodophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.899537448 u |
| Formula | C6H4ClIO |
| InChI | InChI=1S/C6H4ClIO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H |
| InChIKey | JKPLMQJLGBBFLO-UHFFFAOYSA-N |
| Molecular Weight | 254.454 g/mol |
| SMILES | C1(=CC(I)=C(C=C1)O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912443 |