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7,4'-Dimethoxy-3-(pentafluoropropionyl)oxyflavone

View entire compound with spectra: 1 NMR

7,4'-Dimethoxy-3-(pentafluoropropionyl)oxyflavone
SpectraBase Compound ID 12JsjNQtxN7
InChI InChI=1S/C20H13F5O6/c1-28-11-5-3-10(4-6-11)16-17(31-18(27)19(21,22)20(23,24)25)15(26)13-8-7-12(29-2)9-14(13)30-16/h3-9H,1-2H3
InChIKey YRFZARMCEVGLGH-UHFFFAOYSA-N
Mol Weight 444.31 g/mol
Molecular Formula C20H13F5O6
Exact Mass 444.063229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30prWgGj7rw
Name 7,4'-Dimethoxy-3-(pentafluoropropionyl)oxyflavone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.063228948 u
Formula C20H13F5O6
InChI InChI=1S/C20H13F5O6/c1-28-11-5-3-10(4-6-11)16-17(31-18(27)19(21,22)20(23,24)25)15(26)13-8-7-12(29-2)9-14(13)30-16/h3-9H,1-2H3
InChIKey YRFZARMCEVGLGH-UHFFFAOYSA-N
Molecular Weight 444.310 g/mol
SMILES C1=CC(OC)=CC=C1C1=C(OC(C(C(F)(F)F)(F)F)=O)C(C2=CC=C(OC)C=C2O1)=O