| SpectraBase Compound ID | IcN9w8TgYXI |
|---|---|
| InChI | InChI=1S/C8H6BrFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3 |
| InChIKey | GSLFYQYBXIVNLS-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 | x6bHHkHUZM |
|---|---|
| Name | 1-(3-Bromanyl-2-fluoranyl-phenyl)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/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3 |
| InChIKey | GSLFYQYBXIVNLS-UHFFFAOYSA-N |
| Molecular Weight | 217.037 g/mol |
| SMILES | C=1(C(=C(Br)C=CC1)F)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955139 |