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2',3',4',-tri(Trifluoroacetyl)oxyacetophenone

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

2',3',4',-tri(Trifluoroacetyl)oxyacetophenone
SpectraBase Compound ID AAF4HYFRp3P
InChI InChI=1S/C14H5F9O7/c1-4(24)5-2-3-6(28-9(25)12(15,16)17)8(30-11(27)14(21,22)23)7(5)29-10(26)13(18,19)20/h2-3H,1H3
InChIKey WRIAGNJNKABEBR-UHFFFAOYSA-N
Mol Weight 456.17 g/mol
Molecular Formula C14H5F9O7
Exact Mass 455.989156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJ6YKKWvU51
Name 2',3',4',-tri(Trifluoroacetyl)oxyacetophenone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.989155961 u
Formula C14H5F9O7
InChI InChI=1S/C14H5F9O7/c1-4(24)5-2-3-6(28-9(25)12(15,16)17)8(30-11(27)14(21,22)23)7(5)29-10(26)13(18,19)20/h2-3H,1H3
InChIKey WRIAGNJNKABEBR-UHFFFAOYSA-N
Molecular Weight 456.173 g/mol
SMILES C1=CC(C(C)=O)=C(C(=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O