| SpectraBase Compound ID | EYfNWwFiJLP |
|---|---|
| InChI | InChI=1S/C8H6BrClO3/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3,11H,1H3 |
| InChIKey | HBQLSLQUWRIFDB-UHFFFAOYSA-N |
| Mol Weight | 265.49 g/mol |
| Molecular Formula | C8H6BrClO3 |
| Exact Mass | 263.918885 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7H7MXGwblvq |
|---|---|
| Name | Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.918884750 u |
| Formula | C8H6BrClO3 |
| InChI | InChI=1S/C8H6BrClO3/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3,11H,1H3 |
| InChIKey | HBQLSLQUWRIFDB-UHFFFAOYSA-N |
| Molecular Weight | 265.490 g/mol |
| SMILES | C1(Br)=C(C(=CC(=C1)Cl)C(=O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954571 |