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3-Hydroxy-7,2',4'-trimethoxyflavone, trifluoroacetate

View entire compound with spectra: 1 NMR

3-Hydroxy-7,2',4'-trimethoxyflavone, trifluoroacetate
SpectraBase Compound ID 4My8NBtXZg5
InChI InChI=1S/C20H15F3O7/c1-26-10-5-7-13(14(8-10)28-3)17-18(30-19(25)20(21,22)23)16(24)12-6-4-11(27-2)9-15(12)29-17/h4-9H,1-3H3
InChIKey WRJNYEGPKUVPMS-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 ER3KpDXn5kc
Name 3-Hydroxy-7,2',4'-trimethoxyflavone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 424.076987305 u
Formula C20H15F3O7
InChI InChI=1S/C20H15F3O7/c1-26-10-5-7-13(14(8-10)28-3)17-18(30-19(25)20(21,22)23)16(24)12-6-4-11(27-2)9-15(12)29-17/h4-9H,1-3H3
InChIKey WRJNYEGPKUVPMS-UHFFFAOYSA-N
Molecular Weight 424.328 g/mol
SMILES C1(=C(C=CC(=C1)OC)C1=C(OC(C(F)(F)F)=O)C(C2=CC=C(C=C2O1)OC)=O)OC