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3-(Acetyl)oxy-7,8,2',3'-tetramethoxyflavone
SpectraBase Compound ID sse3r0wXHO
InChI InChI=1S/C21H20O8/c1-11(22)28-21-16(23)12-9-10-15(25-3)20(27-5)18(12)29-19(21)13-7-6-8-14(24-2)17(13)26-4/h6-10H,1-5H3
InChIKey DGLCGJSGZITGGS-UHFFFAOYSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjAcouMN6lS
Name 3-(Acetyl)oxy-7,8,2',3'-tetramethoxyflavone
Comments Computed using HOSE algorithm
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Exact Mass 400.115817596 u
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-11(22)28-21-16(23)12-9-10-15(25-3)20(27-5)18(12)29-19(21)13-7-6-8-14(24-2)17(13)26-4/h6-10H,1-5H3
InChIKey DGLCGJSGZITGGS-UHFFFAOYSA-N
Molecular Weight 400.383 g/mol
SMILES C1(=C(C=CC=C1OC)C1=C(OC(C)=O)C(C2=CC=C(C(=C2O1)OC)OC)=O)OC