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3-(Pentafluropropionyl)oxy-7,8,4'-trimethoxyflavone

View entire compound with spectra: 1 NMR

3-(Pentafluropropionyl)oxy-7,8,4'-trimethoxyflavone
SpectraBase Compound ID 9Gw9xGQ1CqT
InChI InChI=1S/C21H15F5O7/c1-29-11-6-4-10(5-7-11)15-18(33-19(28)20(22,23)21(24,25)26)14(27)12-8-9-13(30-2)17(31-3)16(12)32-15/h4-9H,1-3H3
InChIKey WGWHCQUAMCQXET-UHFFFAOYSA-N
Mol Weight 474.34 g/mol
Molecular Formula C21H15F5O7
Exact Mass 474.073794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EA7HYp7agnT
Name 3-(Pentafluropropionyl)oxy-7,8,4'-trimethoxyflavone
Comments Computed using HOSE algorithm
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Exact Mass 474.073793631 u
Formula C21H15F5O7
InChI InChI=1S/C21H15F5O7/c1-29-11-6-4-10(5-7-11)15-18(33-19(28)20(22,23)21(24,25)26)14(27)12-8-9-13(30-2)17(31-3)16(12)32-15/h4-9H,1-3H3
InChIKey WGWHCQUAMCQXET-UHFFFAOYSA-N
Molecular Weight 474.336 g/mol
SMILES C1=C(C=CC(=C1)OC)C1=C(OC(C(C(F)(F)F)(F)F)=O)C(C2=CC=C(C(=C2O1)OC)OC)=O