SpectraBase Spectrum ID |
A9Q5kHjJCT6 |
Name |
4-Fluorophenethyl alcohol, trifluoroacetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.046042148 u |
Formula |
C10H8F4O2 |
InChI |
InChI=1S/C10H8F4O2/c11-8-3-1-7(2-4-8)5-6-16-9(15)10(12,13)14/h1-4H,5-6H2 |
InChIKey |
XBLNSQJJDJOVQF-UHFFFAOYSA-N |
Molecular Weight |
236.166 g/mol |
SMILES |
C1=CC(=CC=C1CCOC(C(F)(F)F)=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899087 |