| SpectraBase Compound ID | 4QlE7VFoOwR |
|---|---|
| InChI | InChI=1S/C8H6F4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3,13H,4H2 |
| InChIKey | DGBDVJVPBJMVDH-UHFFFAOYSA-N |
| Mol Weight | 194.13 g/mol |
| Molecular Formula | C8H6F4O |
| Exact Mass | 194.035477 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3gnMy4r6M6D |
|---|---|
| Name | 4-Fluoro-3-(trifluoromethyl)benzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.035477464 u |
| Formula | C8H6F4O |
| InChI | InChI=1S/C8H6F4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3,13H,4H2 |
| InChIKey | DGBDVJVPBJMVDH-UHFFFAOYSA-N |
| Molecular Weight | 194.129 g/mol |
| SMILES | C1=C(C=C(C(=C1)F)C(F)(F)F)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813696 |