| SpectraBase Compound ID | E9QgypP27Ks |
|---|---|
| InChI | InChI=1S/C9H11BrO2/c1-11-6-7-3-4-8(10)5-9(7)12-2/h3-5H,6H2,1-2H3 |
| InChIKey | JXRPHCFFMRTYQQ-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 | 6IsXxqwiJl7 |
|---|---|
| Name | 4-Bromo-2-methoxybenzyl alcohol, methyl ether |
| 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/c1-11-6-7-3-4-8(10)5-9(7)12-2/h3-5H,6H2,1-2H3 |
| InChIKey | JXRPHCFFMRTYQQ-UHFFFAOYSA-N |
| Molecular Weight | 231.089 g/mol |
| SMILES | C1(=C(C=C(C=C1)Br)OC)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962258 |