![Bicyclo[5.1.0]octane, 8-bromo-8-fluoro-](/api/spectrum/6ItPFpoDLz4/structure.png?h=300&w=458 "Bicyclo[5.1.0]octane, 8-bromo-8-fluoro-")
| SpectraBase Compound ID | 2cIfLIODIVl |
|---|---|
| InChI | InChI=1S/C8H12BrF/c9-8(10)6-4-2-1-3-5-7(6)8/h6-7H,1-5H2 |
| InChIKey | VQNQFMJBZTVLFW-UHFFFAOYSA-N |
| Mol Weight | 207.09 g/mol |
| Molecular Formula | C8H12BrF |
| Exact Mass | 206.010642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6ItPFpoDLz4 |
|---|---|
| Name | Bicyclo[5.1.0]octane, 8-bromo-8-fluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.010641549 u |
| Formula | C8H12BrF |
| InChI | InChI=1S/C8H12BrF/c9-8(10)6-4-2-1-3-5-7(6)8/h6-7H,1-5H2 |
| InChIKey | VQNQFMJBZTVLFW-UHFFFAOYSA-N |
| Molecular Weight | 207.086 g/mol |
| SMILES | C1(C2CCCCCC12)(F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826311 |