| SpectraBase Compound ID | CgqbdE6CjbF |
|---|---|
| InChI | InChI=1S/C9H9BrO3/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChIKey | BBHBUJQFVCMESB-UHFFFAOYSA-N |
| Mol Weight | 245.07 g/mol |
| Molecular Formula | C9H9BrO3 |
| Exact Mass | 243.973507 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IVvZJ5MXMUh |
|---|---|
| Name | 5-Bromo-2-methoxyphenylacetic acid |
| 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/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChIKey | BBHBUJQFVCMESB-UHFFFAOYSA-N |
| Molecular Weight | 245.072 g/mol |
| SMILES | C1=C(C(=CC=C1Br)OC)CC(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954138 |