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5-Acetoxy-3-(3,4-diacetoxyphenyl)-7-methoxy-4H-chromen-4-one

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

5-Acetoxy-3-(3,4-diacetoxyphenyl)-7-methoxy-4H-chromen-4-one
SpectraBase Compound ID 9EDkx78oK9f
InChI InChI=1S/C22H18O9/c1-11(23)29-17-6-5-14(7-18(17)30-12(2)24)16-10-28-19-8-15(27-4)9-20(31-13(3)25)21(19)22(16)26/h5-10H,1-4H3
InChIKey NHURGQFBJLKYMQ-UHFFFAOYSA-N
Mol Weight 426.38 g/mol
Molecular Formula C22H18O9
Exact Mass 426.095082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2noVyTbYNkv
Name 5-Acetoxy-3-(3,4-diacetoxyphenyl)-7-methoxy-4H-chromen-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.095082151 u
Formula C22H18O9
InChI InChI=1S/C22H18O9/c1-11(23)29-17-6-5-14(7-18(17)30-12(2)24)16-10-28-19-8-15(27-4)9-20(31-13(3)25)21(19)22(16)26/h5-10H,1-4H3
InChIKey NHURGQFBJLKYMQ-UHFFFAOYSA-N
Molecular Weight 426.377 g/mol
SMILES C12=C(OC=C(C2=O)C2=CC=C(C(=C2)OC(C)=O)OC(=O)C)C=C(C=C1OC(=O)C)OC