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2,5-di(Trifluoroacetyloxy)acetophenone

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

2,5-di(Trifluoroacetyloxy)acetophenone
SpectraBase Compound ID 3zIm86uYGna
InChI InChI=1S/C12H6F6O5/c1-5(19)7-4-6(22-9(20)11(13,14)15)2-3-8(7)23-10(21)12(16,17)18/h2-4H,1H3
InChIKey QEMKREIQNFKARJ-UHFFFAOYSA-N
Mol Weight 344.17 g/mol
Molecular Formula C12H6F6O5
Exact Mass 344.011942 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H61TuLmm5XS
Name 2,5-di(Trifluoroacetyloxy)acetophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.011942266 u
Formula C12H6F6O5
InChI InChI=1S/C12H6F6O5/c1-5(19)7-4-6(22-9(20)11(13,14)15)2-3-8(7)23-10(21)12(16,17)18/h2-4H,1H3
InChIKey QEMKREIQNFKARJ-UHFFFAOYSA-N
Molecular Weight 344.165 g/mol
SMILES C1(=CC=C(C=C1C(C)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980324