SpectraBase Spectrum ID |
CQ2ieB3vswL |
Name |
2-(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)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17/h1-8,17H |
InChIKey |
ROYWNPVVVXHAHT-UHFFFAOYSA-N |
Molecular Weight |
238.209 g/mol |
SMILES |
C1(=C(C=CC=C1)O)C1=CC=C(C=C1)C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887613 |