| SpectraBase Compound ID | 55QkuKGc6yl |
|---|---|
| InChI | InChI=1S/C6H12BrF/c1-4-5(7)6(2,3)8/h5H,4H2,1-3H3 |
| InChIKey | AYIMWEWKWFSHNC-UHFFFAOYSA-N |
| Mol Weight | 183.06 g/mol |
| Molecular Formula | C6H12BrF |
| Exact Mass | 182.010642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7FwmhRus0Qo |
|---|---|
| Name | 3-Bromo-2-fluoro-2-methylpentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.010641549 u |
| Formula | C6H12BrF |
| InChI | InChI=1S/C6H12BrF/c1-4-5(7)6(2,3)8/h5H,4H2,1-3H3 |
| InChIKey | AYIMWEWKWFSHNC-UHFFFAOYSA-N |
| Molecular Weight | 183.064 g/mol |
| SMILES | C(F)(C)(C(Br)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941752 |