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6,4'-Dimethoxy-7-hydroxyisoflavone, 2-methylpropionate

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6,4'-Dimethoxy-7-hydroxyisoflavone, 2-methylpropionate
SpectraBase Compound ID D8DmALS03bk
InChI InChI=1S/C21H20O6/c1-12(2)21(23)27-19-10-17-15(9-18(19)25-4)20(22)16(11-26-17)13-5-7-14(24-3)8-6-13/h5-12H,1-4H3
InChIKey BVLWEYHKLSSHJG-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9eLlYbRTJD
Name 6,4'-Dimethoxy-7-hydroxyisoflavone, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 368.125988358 u
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-12(2)21(23)27-19-10-17-15(9-18(19)25-4)20(22)16(11-26-17)13-5-7-14(24-3)8-6-13/h5-12H,1-4H3
InChIKey BVLWEYHKLSSHJG-UHFFFAOYSA-N
Molecular Weight 368.385 g/mol
SMILES C1(=CC=C(C=C1)OC)C=1C(=O)C2=CC(=C(C=C2OC1)OC(C(C)C)=O)OC