| SpectraBase Compound ID | 1yMxO419iRv |
|---|---|
| InChI | InChI=1S/C8H7BrO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11) |
| InChIKey | AOGGEUOQUYCZAH-UHFFFAOYSA-N |
| Mol Weight | 231.04 g/mol |
| Molecular Formula | C8H7BrO3 |
| Exact Mass | 229.957857 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ci6EM2h1Qv |
|---|---|
| Name | 2-Bromo-3-methoxybenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.957857082 u |
| Formula | C8H7BrO3 |
| InChI | InChI=1S/C8H7BrO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11) |
| InChIKey | AOGGEUOQUYCZAH-UHFFFAOYSA-N |
| Molecular Weight | 231.045 g/mol |
| SMILES | C1(=C(C=CC=C1OC)C(=O)O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876003 |