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4'-Acetoxy-7-hydroxy-6-methoxyisoflavone, 2-methylpropionate

View entire compound with spectra: 1 NMR

4'-Acetoxy-7-hydroxy-6-methoxyisoflavone, 2-methylpropionate
SpectraBase Compound ID 4C5fP7meBkG
InChI InChI=1S/C22H20O7/c1-12(2)22(25)29-20-10-18-16(9-19(20)26-4)21(24)17(11-27-18)14-5-7-15(8-6-14)28-13(3)23/h5-12H,1-4H3
InChIKey PNFPXFULDCHGBQ-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C22H20O7
Exact Mass 396.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9DTsSCtIQfD
Name 4'-Acetoxy-7-hydroxy-6-methoxyisoflavone, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 396.120902977 u
Formula C22H20O7
InChI InChI=1S/C22H20O7/c1-12(2)22(25)29-20-10-18-16(9-19(20)26-4)21(24)17(11-27-18)14-5-7-15(8-6-14)28-13(3)23/h5-12H,1-4H3
InChIKey PNFPXFULDCHGBQ-UHFFFAOYSA-N
Molecular Weight 396.395 g/mol
SMILES C1(=CC=C(C=C1)OC(C)=O)C=1C(=O)C2=CC(=C(C=C2OC1)OC(C(C)C)=O)OC