| SpectraBase Compound ID | FR7BbpeniUH |
|---|---|
| InChI | InChI=1S/C8H9BrO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3 |
| InChIKey | LQBMPJSTUHWGDE-UHFFFAOYSA-N |
| Mol Weight | 201.06 g/mol |
| Molecular Formula | C8H9BrO |
| Exact Mass | 199.983678 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FwRWpR1vzaB |
|---|---|
| Name | 1-Bromo-3-ethoxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.983677909 u |
| Formula | C8H9BrO |
| InChI | InChI=1S/C8H9BrO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3 |
| InChIKey | LQBMPJSTUHWGDE-UHFFFAOYSA-N |
| Molecular Weight | 201.063 g/mol |
| SMILES | C=1(OCC)C=C(C=CC1)Br |
| Spectrum/Structure Validation Score (Raman) | 0.981081 |