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3',4'-Dimethoxy-3-hydroxy-6-methylflavone, trifluoroacetate

View entire compound with spectra: 1 NMR

3',4'-Dimethoxy-3-hydroxy-6-methylflavone, trifluoroacetate
SpectraBase Compound ID I32XsPbjGmf
InChI InChI=1S/C20H15F3O6/c1-10-4-6-13-12(8-10)16(24)18(29-19(25)20(21,22)23)17(28-13)11-5-7-14(26-2)15(9-11)27-3/h4-9H,1-3H3
InChIKey RBBQODAUBJKNQT-UHFFFAOYSA-N
Mol Weight 408.33 g/mol
Molecular Formula C20H15F3O6
Exact Mass 408.082073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MvfCR5Uthd
Name 3',4'-Dimethoxy-3-hydroxy-6-methylflavone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 408.082072686 u
Formula C20H15F3O6
InChI InChI=1S/C20H15F3O6/c1-10-4-6-13-12(8-10)16(24)18(29-19(25)20(21,22)23)17(28-13)11-5-7-14(26-2)15(9-11)27-3/h4-9H,1-3H3
InChIKey RBBQODAUBJKNQT-UHFFFAOYSA-N
Molecular Weight 408.329 g/mol
SMILES C1=C(C=CC(=C1OC)OC)C1=C(OC(C(F)(F)F)=O)C(C2=CC(=CC=C2O1)C)=O