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3,5,7-tri(Pentafluoropropionyl)oxy-4'-methoxyflavone

View entire compound with spectra: 1 NMR

3,5,7-tri(Pentafluoropropionyl)oxy-4'-methoxyflavone
SpectraBase Compound ID GbdBNzaErQa
InChI InChI=1S/C25H9F15O9/c1-45-9-4-2-8(3-5-9)15-16(49-19(44)22(30,31)25(38,39)40)14(41)13-11(47-15)6-10(46-17(42)20(26,27)23(32,33)34)7-12(13)48-18(43)21(28,29)24(35,36)37/h2-7H,1H3
InChIKey IPMYVQQNWQTCAU-UHFFFAOYSA-N
Mol Weight 738.31 g/mol
Molecular Formula C25H9F15O9
Exact Mass 738.000704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OnoWLAyebB
Name 3,5,7-tri(Pentafluoropropionyl)oxy-4'-methoxyflavone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 738.000704306 u
Formula C25H9F15O9
InChI InChI=1S/C25H9F15O9/c1-45-9-4-2-8(3-5-9)15-16(49-19(44)22(30,31)25(38,39)40)14(41)13-11(47-15)6-10(46-17(42)20(26,27)23(32,33)34)7-12(13)48-18(43)21(28,29)24(35,36)37/h2-7H,1H3
InChIKey IPMYVQQNWQTCAU-UHFFFAOYSA-N
Molecular Weight 738.314 g/mol
SMILES C1=CC(OC)=CC=C1C1=C(OC(C(C(F)(F)F)(F)F)=O)C(C2=C(C=C(C=C2OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)O1)=O