| SpectraBase Compound ID | 3WrYDSWtjay |
|---|---|
| InChI | InChI=1S/C8H9IO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2 |
| InChIKey | KBOTURXUTKMUPO-UHFFFAOYSA-N |
| Mol Weight | 248.06 g/mol |
| Molecular Formula | C8H9IO |
| Exact Mass | 247.96981 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bd4J6KwiizR |
|---|---|
| Name | 2-Iodo-2-phenylethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.969809909 u |
| Formula | C8H9IO |
| InChI | InChI=1S/C8H9IO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2 |
| InChIKey | KBOTURXUTKMUPO-UHFFFAOYSA-N |
| Molecular Weight | 248.063 g/mol |
| SMILES | C(C(C=1C=CC=CC1)I)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897331 |