| SpectraBase Compound ID | 6MxaII7xqzE |
|---|---|
| InChI | InChI=1S/C8H7BrF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8,12H |
| InChIKey | MACLWDXHRYFAPX-UHFFFAOYSA-N |
| Mol Weight | 237.04 g/mol |
| Molecular Formula | C8H7BrF2O |
| Exact Mass | 235.964834 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3vDUBcSuT1X |
|---|---|
| Name | 1-(4-Bromophenyl)-2,2-difluoroethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.964834170 u |
| Formula | C8H7BrF2O |
| InChI | InChI=1S/C8H7BrF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8,12H |
| InChIKey | MACLWDXHRYFAPX-UHFFFAOYSA-N |
| Molecular Weight | 237.044 g/mol |
| SMILES | C=1C(C(C(F)F)O)=CC=C(C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80113 |