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3,7-Diacetoxy-2-(p-acetoxyphenyl)-4H-chromen-4-one

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

3,7-Diacetoxy-2-(p-acetoxyphenyl)-4H-chromen-4-one
SpectraBase Compound ID Ddck1kwrAgS
InChI InChI=1S/C21H16O8/c1-11(22)26-15-6-4-14(5-7-15)20-21(28-13(3)24)19(25)17-9-8-16(27-12(2)23)10-18(17)29-20/h4-10H,1-3H3
InChIKey CRAONWIWWPWXQI-UHFFFAOYSA-N
Mol Weight 396.35 g/mol
Molecular Formula C21H16O8
Exact Mass 396.084517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8obcmlCRzR
Name 3,7-Diacetoxy-2-(p-acetoxyphenyl)-4H-chromen-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.084517467 u
Formula C21H16O8
InChI InChI=1S/C21H16O8/c1-11(22)26-15-6-4-14(5-7-15)20-21(28-13(3)24)19(25)17-9-8-16(27-12(2)23)10-18(17)29-20/h4-10H,1-3H3
InChIKey CRAONWIWWPWXQI-UHFFFAOYSA-N
Molecular Weight 396.351 g/mol
SMILES C12=C(OC(=C(C2=O)OC(=O)C)C2=CC=C(C=C2)OC(C)=O)C=C(C=C1)OC(=O)C