| SpectraBase Compound ID | l5xksHplkP |
|---|---|
| InChI | InChI=1S/C7H3BrF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12) |
| InChIKey | IRHPJGPQWZEZRX-UHFFFAOYSA-N |
| Mol Weight | 237.0 g/mol |
| Molecular Formula | C7H3BrF2O2 |
| Exact Mass | 235.928449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HhFQgVrF7gT |
|---|---|
| Name | 4-Bromo-2,6-difluorobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.928448661 u |
| Formula | C7H3BrF2O2 |
| InChI | InChI=1S/C7H3BrF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12) |
| InChIKey | IRHPJGPQWZEZRX-UHFFFAOYSA-N |
| Molecular Weight | 237.000 g/mol |
| SMILES | C1(F)=C(C(=CC(=C1)Br)F)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916978 |