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3-(p-Acetoxyphenyl)-5,7-diacetoxy-4H-chromen-4-one

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

3-(p-Acetoxyphenyl)-5,7-diacetoxy-4H-chromen-4-one
SpectraBase Compound ID FGlyJCJRrpi
InChI InChI=1S/C21H16O8/c1-11(22)27-15-6-4-14(5-7-15)17-10-26-18-8-16(28-12(2)23)9-19(29-13(3)24)20(18)21(17)25/h4-10H,1-3H3
InChIKey YFPWPHUQAVBEHF-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 7CgzKktWN0I
Name 3-(p-Acetoxyphenyl)-5,7-diacetoxy-4H-chromen-4-one
Comments Computed using HOSE algorithm
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Exact Mass 396.084517467 u
Formula C21H16O8
InChI InChI=1S/C21H16O8/c1-11(22)27-15-6-4-14(5-7-15)17-10-26-18-8-16(28-12(2)23)9-19(29-13(3)24)20(18)21(17)25/h4-10H,1-3H3
InChIKey YFPWPHUQAVBEHF-UHFFFAOYSA-N
Molecular Weight 396.351 g/mol
SMILES C12=C(OC=C(C2=O)C2=CC=C(OC(=O)C)C=C2)C=C(C=C1OC(=O)C)OC(=O)C