| SpectraBase Compound ID | 6ahVIW4lpid |
|---|---|
| InChI | InChI=1S/C7H4BrClF2/c8-3-4-5(10)1-2-6(11)7(4)9/h1-2H,3H2 |
| InChIKey | KAADKOQBKOGBAA-UHFFFAOYSA-N |
| Mol Weight | 241.46 g/mol |
| Molecular Formula | C7H4BrClF2 |
| Exact Mass | 239.915297 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HV2bndzilwZ |
|---|---|
| Name | 2-Chloro-3,6-difluorobenzyl bromide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.915297155 u |
| Formula | C7H4BrClF2 |
| InChI | InChI=1S/C7H4BrClF2/c8-3-4-5(10)1-2-6(11)7(4)9/h1-2H,3H2 |
| InChIKey | KAADKOQBKOGBAA-UHFFFAOYSA-N |
| Molecular Weight | 241.463 g/mol |
| SMILES | C(Br)C1=C(Cl)C(F)=CC=C1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830595 |