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3-Hydroxy-6,3',4'-trimethoxyflavone, chlorodifluoroacetate

View entire compound with spectra: 1 NMR

3-Hydroxy-6,3',4'-trimethoxyflavone, chlorodifluoroacetate
SpectraBase Compound ID ETEe0ie4ky4
InChI InChI=1S/C20H15ClF2O7/c1-26-11-5-7-13-12(9-11)16(24)18(30-19(25)20(21,22)23)17(29-13)10-4-6-14(27-2)15(8-10)28-3/h4-9H,1-3H3
InChIKey ADEFIXCUJPXRIF-UHFFFAOYSA-N
Mol Weight 440.78 g/mol
Molecular Formula C20H15ClF2O7
Exact Mass 440.047437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8UvwHLAC9K2
Name 3-Hydroxy-6,3',4'-trimethoxyflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 440.047436842 u
Formula C20H15ClF2O7
InChI InChI=1S/C20H15ClF2O7/c1-26-11-5-7-13-12(9-11)16(24)18(30-19(25)20(21,22)23)17(29-13)10-4-6-14(27-2)15(8-10)28-3/h4-9H,1-3H3
InChIKey ADEFIXCUJPXRIF-UHFFFAOYSA-N
Molecular Weight 440.783 g/mol
SMILES C1=C(C=CC(=C1OC)OC)C1=C(OC(C(F)(F)Cl)=O)C(C2=CC(=CC=C2O1)OC)=O