| SpectraBase Compound ID | 7P3zV0WSOYS |
|---|---|
| InChI | InChI=1S/C9H11IO2/c1-11-6-7-3-4-9(12-2)8(10)5-7/h3-5H,6H2,1-2H3 |
| InChIKey | BGULOLNGDGOLLF-UHFFFAOYSA-N |
| Mol Weight | 278.09 g/mol |
| Molecular Formula | C9H11IO2 |
| Exact Mass | 277.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7MafLKtxWRm |
|---|---|
| Name | 3-Iodo-4-methoxybenzyl alcohol, methyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.980374592 u |
| Formula | C9H11IO2 |
| InChI | InChI=1S/C9H11IO2/c1-11-6-7-3-4-9(12-2)8(10)5-7/h3-5H,6H2,1-2H3 |
| InChIKey | BGULOLNGDGOLLF-UHFFFAOYSA-N |
| Molecular Weight | 278.089 g/mol |
| SMILES | C1=C(C(=CC=C1COC)OC)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960212 |