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5,7-Dimethoxy-3-(pentafluoropropionyl)oxyflavone

View entire compound with spectra: 1 NMR

5,7-Dimethoxy-3-(pentafluoropropionyl)oxyflavone
SpectraBase Compound ID GXxGwdNqbOY
InChI InChI=1S/C20H13F5O6/c1-28-11-8-12(29-2)14-13(9-11)30-16(10-6-4-3-5-7-10)17(15(14)26)31-18(27)19(21,22)20(23,24)25/h3-9H,1-2H3
InChIKey UTTZFWGZCVRGOP-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 4K8XMNa47Xb
Name 5,7-Dimethoxy-3-(pentafluoropropionyl)oxyflavone
Comments Computed using HOSE algorithm
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Exact Mass 444.063228948 u
Formula C20H13F5O6
InChI InChI=1S/C20H13F5O6/c1-28-11-8-12(29-2)14-13(9-11)30-16(10-6-4-3-5-7-10)17(15(14)26)31-18(27)19(21,22)20(23,24)25/h3-9H,1-2H3
InChIKey UTTZFWGZCVRGOP-UHFFFAOYSA-N
Molecular Weight 444.310 g/mol
SMILES C1=C(C=CC=C1)C1=C(OC(C(C(F)(F)F)(F)F)=O)C(C2=C(C=C(C=C2O1)OC)OC)=O