| SpectraBase Compound ID | owknPuQiC2 |
|---|---|
| InChI | InChI=1S/C9H11BrO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5H2,1H3 |
| InChIKey | YVCLYLIPTNCQFH-UHFFFAOYSA-N |
| Mol Weight | 231.09 g/mol |
| Molecular Formula | C9H11BrO2 |
| Exact Mass | 229.994243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7Cev6oRSLVg |
|---|---|
| Name | 5-(2-Bromoethyl)-2-methoxyphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.994242592 u |
| Formula | C9H11BrO2 |
| InChI | InChI=1S/C9H11BrO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5H2,1H3 |
| InChIKey | YVCLYLIPTNCQFH-UHFFFAOYSA-N |
| Molecular Weight | 231.089 g/mol |
| SMILES | C1(=C(C=CC(=C1)CCBr)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945684 |