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3-(Heptafluorobutyryl)oxy-7,8,3'-trimethoxyflavone
SpectraBase Compound ID JoFUIBm7iRa
InChI InChI=1S/C22H15F7O7/c1-32-11-6-4-5-10(9-11)15-18(36-19(31)20(23,24)21(25,26)22(27,28)29)14(30)12-7-8-13(33-2)17(34-3)16(12)35-15/h4-9H,1-3H3
InChIKey OZWHNAMXHCJJBH-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 6M0MLviH1f2
Name 3-(Heptafluorobutyryl)oxy-7,8,3'-trimethoxyflavone
Comments Computed using HOSE algorithm
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Exact Mass 524.070599957 u
Formula C22H15F7O7
InChI InChI=1S/C22H15F7O7/c1-32-11-6-4-5-10(9-11)15-18(36-19(31)20(23,24)21(25,26)22(27,28)29)14(30)12-7-8-13(33-2)17(34-3)16(12)35-15/h4-9H,1-3H3
InChIKey OZWHNAMXHCJJBH-UHFFFAOYSA-N
Molecular Weight 524.344 g/mol
SMILES C1=C(C=CC=C1OC)C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(C2=CC=C(C(=C2O1)OC)OC)=O