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3-(Pentafluoropropionyl)oxy-2',4',5'-trimethoxyflavone

View entire compound with spectra: 1 NMR

3-(Pentafluoropropionyl)oxy-2',4',5'-trimethoxyflavone
SpectraBase Compound ID 3fzHPKpZOnq
InChI InChI=1S/C21H15F5O7/c1-29-13-9-15(31-3)14(30-2)8-11(13)17-18(33-19(28)20(22,23)21(24,25)26)16(27)10-6-4-5-7-12(10)32-17/h4-9H,1-3H3
InChIKey TXRVBKDOZYENLO-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 ER04KF9oSOn
Name 3-(Pentafluoropropionyl)oxy-2',4',5'-trimethoxyflavone
Comments Computed using HOSE algorithm
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Exact Mass 474.073793631 u
Formula C21H15F5O7
InChI InChI=1S/C21H15F5O7/c1-29-13-9-15(31-3)14(30-2)8-11(13)17-18(33-19(28)20(22,23)21(24,25)26)16(27)10-6-4-5-7-12(10)32-17/h4-9H,1-3H3
InChIKey TXRVBKDOZYENLO-UHFFFAOYSA-N
Molecular Weight 474.336 g/mol
SMILES C1(=C(C=C(C(=C1)OC)OC)C1=C(OC(=O)C(C(F)(F)F)(F)F)C(C2=CC=CC=C2O1)=O)OC