| SpectraBase Compound ID | Bxx4qGSRdCj |
|---|---|
| InChI | InChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H |
| InChIKey | RNOVGJWJVRESAA-UHFFFAOYSA-N |
| Mol Weight | 180.1 g/mol |
| Molecular Formula | C7H4F4O |
| Exact Mass | 180.019827 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EnTdKGSLU3R |
|---|---|
| Name | 4-Fluoro-2-(trifluoromethyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.019827400 u |
| Formula | C7H4F4O |
| InChI | InChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H |
| InChIKey | RNOVGJWJVRESAA-UHFFFAOYSA-N |
| Molecular Weight | 180.102 g/mol |
| SMILES | C(F)(F)(F)C1=C(C=CC(=C1)F)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893937 |