| SpectraBase Compound ID | 7QtJnoalRVQ |
|---|---|
| InChI | InChI=1S/C8H7Cl2FO/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H |
| InChIKey | HKCFPBVFHPEKCW-UHFFFAOYSA-N |
| Mol Weight | 209.05 g/mol |
| Molecular Formula | C8H7Cl2FO |
| Exact Mass | 207.985798 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1eS6WyMRZPk |
|---|---|
| Name | 2,2-Dichloro-2-fluoro-1-phenylethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.985798407 u |
| Formula | C8H7Cl2FO |
| InChI | InChI=1S/C8H7Cl2FO/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H |
| InChIKey | HKCFPBVFHPEKCW-UHFFFAOYSA-N |
| Molecular Weight | 209.047 g/mol |
| SMILES | C(C(C=1C=CC=CC1)O)(F)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887557 |