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3'-(Pentafluoropropionyl)oxy-6-methylflavone

View entire compound with spectra: 1 NMR

3'-(Pentafluoropropionyl)oxy-6-methylflavone
SpectraBase Compound ID HDU4HHfeYol
InChI InChI=1S/C19H11F5O4/c1-10-5-6-15-13(7-10)14(25)9-16(28-15)11-3-2-4-12(8-11)27-17(26)18(20,21)19(22,23)24/h2-9H,1H3
InChIKey QNKMYSYOTQWISV-UHFFFAOYSA-N
Mol Weight 398.29 g/mol
Molecular Formula C19H11F5O4
Exact Mass 398.05775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99N6PHn3jx3
Name 3'-(Pentafluoropropionyl)oxy-6-methylflavone
Comments Computed using HOSE algorithm
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Exact Mass 398.057749645 u
Formula C19H11F5O4
InChI InChI=1S/C19H11F5O4/c1-10-5-6-15-13(7-10)14(25)9-16(28-15)11-3-2-4-12(8-11)27-17(26)18(20,21)19(22,23)24/h2-9H,1H3
InChIKey QNKMYSYOTQWISV-UHFFFAOYSA-N
Molecular Weight 398.285 g/mol
SMILES C1=C(C=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)C1=CC(C2=CC(=CC=C2O1)C)=O