| SpectraBase Compound ID | CvmOgZMvX9K |
|---|---|
| InChI | InChI=1S/C13H9F3O/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-8,17H |
| InChIKey | AFPOYLCQXONCPX-UHFFFAOYSA-N |
| Mol Weight | 238.21 g/mol |
| Molecular Formula | C13H9F3O |
| Exact Mass | 238.060549 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6GWLhiTyM8h |
|---|---|
| Name | 4-(4-Trifluoromethylphenyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.060549398 u |
| Formula | C13H9F3O |
| InChI | InChI=1S/C13H9F3O/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(17)8-4-10/h1-8,17H |
| InChIKey | AFPOYLCQXONCPX-UHFFFAOYSA-N |
| Molecular Weight | 238.209 g/mol |
| SMILES | C(F)(F)(F)C1=CC=C(C=C1)C1=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86722 |