| SpectraBase Compound ID | 4IKTYQNUR8B |
|---|---|
| InChI | InChI=1S/C9H11BrO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | PBRPKYRJVDJZTF-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 | Fn5Jidj0x2I |
|---|---|
| Name | 1-(2-Bromoethoxy)-2-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/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | PBRPKYRJVDJZTF-UHFFFAOYSA-N |
| Molecular Weight | 231.089 g/mol |
| SMILES | C1=C(C(=CC=C1)OCCBr)OC |
| Spectrum/Structure Validation Score (Raman) | 0.986731 |