SpectraBase Spectrum ID |
LlxtS9WAX8J |
Name |
3-Buten-2-one, 1,1,1-trifluoro-4-hydroxy-4-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
216.039813952 u |
Formula |
C10H7F3O2 |
InChI |
InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-6,14H/b8-6- |
InChIKey |
VVRLQETZGSWUNO-VURMDHGXSA-N |
Molecular Weight |
216.159 g/mol |
SMILES |
C1=CC=CC=C1\C(O)=C\C(C(F)(F)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851935 |