| SpectraBase Compound ID | 5ZdeAEn4hFk |
|---|---|
| InChI | InChI=1S/C9H9BrO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3 |
| InChIKey | UGBJRYUNSXFPOX-UHFFFAOYSA-N |
| Mol Weight | 245.07 g/mol |
| Molecular Formula | C9H9BrO3 |
| Exact Mass | 243.973507 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LhOAoxm2xbF |
|---|---|
| Name | 4-Bromo-3,5-dimethoxybenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.973507147 u |
| Formula | C9H9BrO3 |
| InChI | InChI=1S/C9H9BrO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-5H,1-2H3 |
| InChIKey | UGBJRYUNSXFPOX-UHFFFAOYSA-N |
| Molecular Weight | 245.072 g/mol |
| SMILES | C=1C(=CC(=C(C1OC)Br)OC)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.982756 |