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4'-Acetoxy-7-hydroxy-6-methoxyisoflavone, acetate

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

4'-Acetoxy-7-hydroxy-6-methoxyisoflavone, acetate
SpectraBase Compound ID FmthQXYTZ4n
InChI InChI=1S/C20H16O7/c1-11(21)26-14-6-4-13(5-7-14)16-10-25-17-9-19(27-12(2)22)18(24-3)8-15(17)20(16)23/h4-10H,1-3H3
InChIKey FEQSSJJMHUYNQL-UHFFFAOYSA-N
Mol Weight 368.34 g/mol
Molecular Formula C20H16O7
Exact Mass 368.089603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jc8odPYekoT
Name 4'-Acetoxy-7-hydroxy-6-methoxyisoflavone, acetate
Comments Computed using HOSE algorithm
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Exact Mass 368.089602848 u
Formula C20H16O7
InChI InChI=1S/C20H16O7/c1-11(21)26-14-6-4-13(5-7-14)16-10-25-17-9-19(27-12(2)22)18(24-3)8-15(17)20(16)23/h4-10H,1-3H3
InChIKey FEQSSJJMHUYNQL-UHFFFAOYSA-N
Molecular Weight 368.341 g/mol
SMILES C1(=CC=C(C=C1)OC(C)=O)C=1C(=O)C2=CC(=C(C=C2OC1)OC(C)=O)OC