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

View entire compound with spectra: 1 NMR

4'-Acetoxy-7-hydroxy-6-methoxyisoflavone, trimethylacetate
SpectraBase Compound ID G3ELPNVEgMS
InChI InChI=1S/C23H22O7/c1-13(24)29-15-8-6-14(7-9-15)17-12-28-18-11-20(30-22(26)23(2,3)4)19(27-5)10-16(18)21(17)25/h6-12H,1-5H3
InChIKey DVWAYRWNFOOEOR-UHFFFAOYSA-N
Mol Weight 410.42 g/mol
Molecular Formula C23H22O7
Exact Mass 410.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Hq2jIR2Yzy
Name 4'-Acetoxy-7-hydroxy-6-methoxyisoflavone, trimethylacetate
Comments Computed using HOSE algorithm
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Exact Mass 410.136553041 u
Formula C23H22O7
InChI InChI=1S/C23H22O7/c1-13(24)29-15-8-6-14(7-9-15)17-12-28-18-11-20(30-22(26)23(2,3)4)19(27-5)10-16(18)21(17)25/h6-12H,1-5H3
InChIKey DVWAYRWNFOOEOR-UHFFFAOYSA-N
Molecular Weight 410.422 g/mol
SMILES C1(=CC=C(C=C1)OC(C)=O)C=1C(=O)C2=CC(=C(C=C2OC1)OC(C(C)(C)C)=O)OC