| SpectraBase Compound ID | KbcW157ZCNT |
|---|---|
| InChI | InChI=1S/C8H6BrFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2 |
| InChIKey | PATCUTBZBAERHM-UHFFFAOYSA-N |
| Mol Weight | 217.04 g/mol |
| Molecular Formula | C8H6BrFO |
| Exact Mass | 215.958606 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F8SxoqKQMnI |
|---|---|
| Name | 1-(4-Bromophenyl)-2-fluoranyl-ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.958605975 u |
| Formula | C8H6BrFO |
| InChI | InChI=1S/C8H6BrFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2 |
| InChIKey | PATCUTBZBAERHM-UHFFFAOYSA-N |
| Molecular Weight | 217.037 g/mol |
| SMILES | C1=C(C=CC(C(CF)=O)=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92924 |