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3-Hydroxy-7,2',3'-trimethoxyflavone, trifluoroacetate

View entire compound with spectra: 1 NMR

3-Hydroxy-7,2',3'-trimethoxyflavone, trifluoroacetate
SpectraBase Compound ID JDKkcgc9UJ3
InChI InChI=1S/C20H15F3O7/c1-26-10-7-8-11-14(9-10)29-17(12-5-4-6-13(27-2)16(12)28-3)18(15(11)24)30-19(25)20(21,22)23/h4-9H,1-3H3
InChIKey QJMRLNKCSNVETJ-UHFFFAOYSA-N
Mol Weight 424.33 g/mol
Molecular Formula C20H15F3O7
Exact Mass 424.076987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IX3aCQjiaDU
Name 3-Hydroxy-7,2',3'-trimethoxyflavone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 424.076987305 u
Formula C20H15F3O7
InChI InChI=1S/C20H15F3O7/c1-26-10-7-8-11-14(9-10)29-17(12-5-4-6-13(27-2)16(12)28-3)18(15(11)24)30-19(25)20(21,22)23/h4-9H,1-3H3
InChIKey QJMRLNKCSNVETJ-UHFFFAOYSA-N
Molecular Weight 424.328 g/mol
SMILES C1(=C(C=CC=C1OC)C1=C(OC(C(F)(F)F)=O)C(C2=CC=C(C=C2O1)OC)=O)OC