SpectraBase Spectrum ID |
H7h37Zcy7aQ |
Name |
4-Trfluoroacetyloxy-4-phenylbut-1-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
244.071114081 u |
Formula |
C12H11F3O2 |
InChI |
InChI=1S/C12H11F3O2/c1-2-6-10(9-7-4-3-5-8-9)17-11(16)12(13,14)15/h2-5,7-8,10H,1,6H2 |
InChIKey |
NJMKIQQBPMDJGE-UHFFFAOYSA-N |
Molecular Weight |
244.213 g/mol |
SMILES |
C(CC=C)(C1=CC=CC=C1)OC(=O)C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831253 |