SpectraBase Spectrum ID |
7K3ACgj4SXM |
Name |
1,1,1-Trifluoro-2-(4-(trifluoromethyl)phenyl)propan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
258.047933855 u |
Formula |
C10H8F6O |
InChI |
InChI=1S/C10H8F6O/c1-8(17,10(14,15)16)6-2-4-7(5-3-6)9(11,12)13/h2-5,17H,1H3 |
InChIKey |
OTEQFVBAVKVQMA-UHFFFAOYSA-N |
Molecular Weight |
258.163 g/mol |
SMILES |
C=1C=C(C(C(F)(F)F)(O)C)C=CC1C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932337 |