| SpectraBase Compound ID | K7IFLr3LJhg |
|---|---|
| InChI | InChI=1S/C10H12BrF/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 |
| InChIKey | DAFIDVJLDMHZLI-UHFFFAOYSA-N |
| Mol Weight | 231.11 g/mol |
| Molecular Formula | C10H12BrF |
| Exact Mass | 230.010642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gox2bDXEvrM |
|---|---|
| Name | 1-Bromo-1-fluoro-4-phenylbutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.010641549 u |
| Formula | C10H12BrF |
| InChI | InChI=1S/C10H12BrF/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 |
| InChIKey | DAFIDVJLDMHZLI-UHFFFAOYSA-N |
| Molecular Weight | 231.108 g/mol |
| SMILES | C(CCCC=1C=CC=CC1)(F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948698 |