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7-Acetoxy-2-(3,4-diacetoxyphenyl)-4H-chromen-4-one

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

7-Acetoxy-2-(3,4-diacetoxyphenyl)-4H-chromen-4-one
SpectraBase Compound ID CQcnGTB5dFa
InChI InChI=1S/C21H16O8/c1-11(22)26-15-5-6-16-17(25)10-19(29-20(16)9-15)14-4-7-18(27-12(2)23)21(8-14)28-13(3)24/h4-10H,1-3H3
InChIKey SKBPGKCEDAEJQS-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 2XtS5y74vi
Name 7-Acetoxy-2-(3,4-diacetoxyphenyl)-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)26-15-5-6-16-17(25)10-19(29-20(16)9-15)14-4-7-18(27-12(2)23)21(8-14)28-13(3)24/h4-10H,1-3H3
InChIKey SKBPGKCEDAEJQS-UHFFFAOYSA-N
Molecular Weight 396.351 g/mol
SMILES C12=C(OC(=CC2=O)C2=CC=C(C(=C2)OC(=O)C)OC(C)=O)C=C(C=C1)OC(=O)C