| SpectraBase Compound ID | LY1l1wdC9j8 |
|---|---|
| InChI | InChI=1S/C7H7BClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,11-12H,1H3 |
| InChIKey | FOZVMQJCNIKFOB-UHFFFAOYSA-N |
| Mol Weight | 188.4 g/mol |
| Molecular Formula | C7H7BClFO2 |
| Exact Mass | 188.021165 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GAUWSvGSlie |
|---|---|
| Name | 2-Chloro-6-fluoro-3-methylphenylboronic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.021165496 u |
| Formula | C7H7BClFO2 |
| InChI | InChI=1S/C7H7BClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,11-12H,1H3 |
| InChIKey | FOZVMQJCNIKFOB-UHFFFAOYSA-N |
| Molecular Weight | 188.392 g/mol |
| SMILES | C1(Cl)=C(C(=CC=C1C)F)B(O)O |
| Spectrum/Structure Validation Score (Raman) | 0.928567 |