SpectraBase Spectrum ID |
LpGI5bYx4SI |
Name |
Acetophenone, 2-hydroxy-6-trifluoroacetyloxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.029643190 u |
Formula |
C10H7F3O4 |
InChI |
InChI=1S/C10H7F3O4/c1-5(14)8-6(15)3-2-4-7(8)17-9(16)10(11,12)13/h2-4,15H,1H3 |
InChIKey |
FNACSINUTPWMLR-UHFFFAOYSA-N |
Molecular Weight |
248.157 g/mol |
SMILES |
C1(=CC=CC(=C1C(=O)C)O)OC(C(F)(F)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936846 |