| SpectraBase Compound ID | K1xQPyKGvfB |
|---|---|
| InChI | InChI=1S/C8H6BrClO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,1H3,(H,11,12) |
| InChIKey | DLTGYPSSHXBNQG-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 | I4nIydL5PyF |
|---|---|
| Name | 5-Bromo-4-chloro-2-methoxybenzoic acid |
| 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/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,1H3,(H,11,12) |
| InChIKey | DLTGYPSSHXBNQG-UHFFFAOYSA-N |
| Molecular Weight | 265.490 g/mol |
| SMILES | C1(Br)=C(C=C(C(=C1)C(=O)O)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849254 |