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4'-(Heptafluorobutyryl)oxy-6-methylflavone

View entire compound with spectra: 1 NMR, and 1 FTIR

4'-(Heptafluorobutyryl)oxy-6-methylflavone
SpectraBase Compound ID 7ACripJYQZK
InChI InChI=1S/C20H11F7O4/c1-10-2-7-15-13(8-10)14(28)9-16(31-15)11-3-5-12(6-4-11)30-17(29)18(21,22)19(23,24)20(25,26)27/h2-9H,1H3
InChIKey YWHGIZSQBYPTAG-UHFFFAOYSA-N
Mol Weight 448.29 g/mol
Molecular Formula C20H11F7O4
Exact Mass 448.054556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vvopXgQXsJ
Name 4'-(Heptafluorobutyryl)oxy-6-methylflavone
Comments Computed using HOSE algorithm
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Exact Mass 448.054555971 u
Formula C20H11F7O4
InChI InChI=1S/C20H11F7O4/c1-10-2-7-15-13(8-10)14(28)9-16(31-15)11-3-5-12(6-4-11)30-17(29)18(21,22)19(23,24)20(25,26)27/h2-9H,1H3
InChIKey YWHGIZSQBYPTAG-UHFFFAOYSA-N
Molecular Weight 448.293 g/mol
SMILES C1=C(C=CC(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1=CC(C2=CC(=CC=C2O1)C)=O