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3'-Acetoxy-5-hydroxy-3,4',5',7-tetramethoxyflavone

View entire compound with spectra: 1 NMR, and 1 FTIR

3'-Acetoxy-5-hydroxy-3,4',5',7-tetramethoxyflavone
SpectraBase Compound ID 8AJ2DT87dvY
InChI InChI=1S/C21H20O9/c1-10(22)29-16-7-11(6-15(26-3)20(16)27-4)19-21(28-5)18(24)17-13(23)8-12(25-2)9-14(17)30-19/h6-9,23H,1-5H3
InChIKey NBFMLCKCAULFQB-UHFFFAOYSA-N
Mol Weight 416.38 g/mol
Molecular Formula C21H20O9
Exact Mass 416.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9f5ffQSvmwZ
Name 3'-Acetoxy-5-hydroxy-3,4',5',7-tetramethoxyflavone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.110732215 u
Formula C21H20O9
InChI InChI=1S/C21H20O9/c1-10(22)29-16-7-11(6-15(26-3)20(16)27-4)19-21(28-5)18(24)17-13(23)8-12(25-2)9-14(17)30-19/h6-9,23H,1-5H3
InChIKey NBFMLCKCAULFQB-UHFFFAOYSA-N
Molecular Weight 416.382 g/mol
SMILES C1(=C(C(=O)C2=C(C=C(C=C2O1)OC)O)OC)C1=CC(OC)=C(OC)C(OC(C)=O)=C1