| SpectraBase Compound ID | Ke6s8brVSEt |
|---|---|
| InChI | InChI=1S/C8H5Cl2FO/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H |
| InChIKey | BUFWRQDRYOXTTP-UHFFFAOYSA-N |
| Mol Weight | 207.03 g/mol |
| Molecular Formula | C8H5Cl2FO |
| Exact Mass | 205.970148 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EnP5wymCtCY |
|---|---|
| Name | Ethanone, 2,2-dichloro-2-fluoro-1-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.970148343 u |
| Formula | C8H5Cl2FO |
| InChI | InChI=1S/C8H5Cl2FO/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H |
| InChIKey | BUFWRQDRYOXTTP-UHFFFAOYSA-N |
| Molecular Weight | 207.031 g/mol |
| SMILES | C(F)(Cl)(Cl)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906227 |