| SpectraBase Compound ID | A0wU48t31Bv |
|---|---|
| InChI | InChI=1S/C8H9IO/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3 |
| InChIKey | XTWKDFNSYVCFBV-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 | 42dxpNCJoCx |
|---|---|
| Name | 3-Iodobenzyl alcohol, methyl ether |
| 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/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3 |
| InChIKey | XTWKDFNSYVCFBV-UHFFFAOYSA-N |
| Molecular Weight | 248.063 g/mol |
| SMILES | C1(=CC(=CC=C1)I)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889053 |