For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-Acetylphenyl 2,2,3,3,3-pentafluoropropanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Acetylphenyl 2,2,3,3,3-pentafluoropropanoate
SpectraBase Compound ID 4NmFtBpwnoF
InChI InChI=1S/C11H7F5O3/c1-6(17)7-2-4-8(5-3-7)19-9(18)10(12,13)11(14,15)16/h2-5H,1H3
InChIKey ITKLCAYBKAHKIK-UHFFFAOYSA-N
Mol Weight 282.17 g/mol
Molecular Formula C11H7F5O3
Exact Mass 282.031535 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7wy1H6cVJDA
Name 4-Acetylphenyl 2,2,3,3,3-pentafluoropropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.031534897 u
Formula C11H7F5O3
InChI InChI=1S/C11H7F5O3/c1-6(17)7-2-4-8(5-3-7)19-9(18)10(12,13)11(14,15)16/h2-5H,1H3
InChIKey ITKLCAYBKAHKIK-UHFFFAOYSA-N
Molecular Weight 282.166 g/mol
SMILES C(OC1=CC=C(C=C1)C(C)=O)(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985162