| SpectraBase Compound ID | 9eqhMxyaPWi |
|---|---|
| InChI | InChI=1S/C7H4BrClF2/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2 |
| InChIKey | XXVGKTKQAYRRPE-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 | 5NBI1Da11tg |
|---|---|
| Name | 2-Chloro-4,5-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/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2 |
| InChIKey | XXVGKTKQAYRRPE-UHFFFAOYSA-N |
| Molecular Weight | 241.463 g/mol |
| SMILES | C1(F)=C(C=C(C(=C1)Cl)CBr)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877735 |