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3-Hydroxy-7,3',4',5'-tetramethoxyflavone, chlorodifluoroacetate

View entire compound with spectra: 1 NMR

3-Hydroxy-7,3',4',5'-tetramethoxyflavone, chlorodifluoroacetate
SpectraBase Compound ID IxEGC5qpt9R
InChI InChI=1S/C21H17ClF2O8/c1-27-11-5-6-12-13(9-11)31-17(19(16(12)25)32-20(26)21(22,23)24)10-7-14(28-2)18(30-4)15(8-10)29-3/h5-9H,1-4H3
InChIKey QKELMYHEUCPQDC-UHFFFAOYSA-N
Mol Weight 470.81 g/mol
Molecular Formula C21H17ClF2O8
Exact Mass 470.058002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3huKcmZRhdx
Name 3-Hydroxy-7,3',4',5'-tetramethoxyflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 470.058001525 u
Formula C21H17ClF2O8
InChI InChI=1S/C21H17ClF2O8/c1-27-11-5-6-12-13(9-11)31-17(19(16(12)25)32-20(26)21(22,23)24)10-7-14(28-2)18(30-4)15(8-10)29-3/h5-9H,1-4H3
InChIKey QKELMYHEUCPQDC-UHFFFAOYSA-N
Molecular Weight 470.809 g/mol
SMILES C1=C(C=C(C(=C1OC)OC)OC)C1=C(OC(C(F)(F)Cl)=O)C(C2=CC=C(C=C2O1)OC)=O