| SpectraBase Compound ID | HC39VtXGHXB |
|---|---|
| InChI | InChI=1S/C7H3BrClFO/c8-5-3-1-2-4(6(5)10)7(9)11/h1-3H |
| InChIKey | MCRKBWVSQZTERQ-UHFFFAOYSA-N |
| Mol Weight | 237.46 g/mol |
| Molecular Formula | C7H3BrClFO |
| Exact Mass | 235.903984 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BbPOXy6mnPB |
|---|---|
| Name | 3-Bromo-2-fluorobenzoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.903983579 u |
| Formula | C7H3BrClFO |
| InChI | InChI=1S/C7H3BrClFO/c8-5-3-1-2-4(6(5)10)7(9)11/h1-3H |
| InChIKey | MCRKBWVSQZTERQ-UHFFFAOYSA-N |
| Molecular Weight | 237.455 g/mol |
| SMILES | C1(F)=C(C=CC=C1C(=O)Cl)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929755 |