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3,7-Diacetoxy-2-(4-acetoxy-3-methoxyphenyl)-4H-chromen-4-one

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

3,7-Diacetoxy-2-(4-acetoxy-3-methoxyphenyl)-4H-chromen-4-one
SpectraBase Compound ID LUxgR3yzWOG
InChI InChI=1S/C22H18O9/c1-11(23)28-15-6-7-16-18(10-15)31-21(22(20(16)26)30-13(3)25)14-5-8-17(29-12(2)24)19(9-14)27-4/h5-10H,1-4H3
InChIKey NTFUXFDDLLXRPU-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 bar6IdTtrL
Name 3,7-Diacetoxy-2-(4-acetoxy-3-methoxyphenyl)-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)28-15-6-7-16-18(10-15)31-21(22(20(16)26)30-13(3)25)14-5-8-17(29-12(2)24)19(9-14)27-4/h5-10H,1-4H3
InChIKey NTFUXFDDLLXRPU-UHFFFAOYSA-N
Molecular Weight 426.377 g/mol
SMILES C12=C(OC(=C(C2=O)OC(=O)C)C2=CC(=C(C=C2)OC(C)=O)OC)C=C(C=C1)OC(=O)C