| SpectraBase Compound ID | 2Ciq0GqXyFj |
|---|---|
| InChI | InChI=1S/C9H11BrO2/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | PRRJGZRMBVOTGG-UHFFFAOYSA-N |
| Mol Weight | 231.09 g/mol |
| Molecular Formula | C9H11BrO2 |
| Exact Mass | 229.994243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5RyBuaJLhM5 |
|---|---|
| Name | 1-(2-Bromoethoxy)-4-methoxybenzene |
| 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/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | PRRJGZRMBVOTGG-UHFFFAOYSA-N |
| Molecular Weight | 231.089 g/mol |
| SMILES | C=1C(=CC=C(C1)OC)OCCBr |
| Spectrum/Structure Validation Score (Raman) | 0.976933 |