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3-(Heptafluorobutyryl)oxy-7,8,4'-trimethoxyflavone

View entire compound with spectra: 1 NMR

3-(Heptafluorobutyryl)oxy-7,8,4'-trimethoxyflavone
SpectraBase Compound ID F7RfDwRm5Zn
InChI InChI=1S/C22H15F7O7/c1-32-11-6-4-10(5-7-11)15-18(36-19(31)20(23,24)21(25,26)22(27,28)29)14(30)12-8-9-13(33-2)17(34-3)16(12)35-15/h4-9H,1-3H3
InChIKey SJIBOAVMYTXBTD-UHFFFAOYSA-N
Mol Weight 524.34 g/mol
Molecular Formula C22H15F7O7
Exact Mass 524.0706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4W92nHsdL2K
Name 3-(Heptafluorobutyryl)oxy-7,8,4'-trimethoxyflavone
Comments Computed using HOSE algorithm
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Exact Mass 524.070599957 u
Formula C22H15F7O7
InChI InChI=1S/C22H15F7O7/c1-32-11-6-4-10(5-7-11)15-18(36-19(31)20(23,24)21(25,26)22(27,28)29)14(30)12-8-9-13(33-2)17(34-3)16(12)35-15/h4-9H,1-3H3
InChIKey SJIBOAVMYTXBTD-UHFFFAOYSA-N
Molecular Weight 524.344 g/mol
SMILES C1=C(C=CC(=C1)OC)C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(C2=CC=C(C(=C2O1)OC)OC)=O