| SpectraBase Compound ID | 4D55usQLxog |
|---|---|
| InChI | InChI=1S/C9H11BrO3/c1-11-7-5-9(13-3)8(12-2)4-6(7)10/h4-5H,1-3H3 |
| InChIKey | SFEPXIIFUHNCDO-UHFFFAOYSA-N |
| Mol Weight | 247.09 g/mol |
| Molecular Formula | C9H11BrO3 |
| Exact Mass | 245.989157 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B4ryjtqnGjp |
|---|---|
| Name | 5-Bromo-1,2,4-trimethoxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.989157211 u |
| Formula | C9H11BrO3 |
| InChI | InChI=1S/C9H11BrO3/c1-11-7-5-9(13-3)8(12-2)4-6(7)10/h4-5H,1-3H3 |
| InChIKey | SFEPXIIFUHNCDO-UHFFFAOYSA-N |
| Molecular Weight | 247.088 g/mol |
| SMILES | COC1=C(OC)C=C(C(=C1)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87062 |