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3-[1,3-benzodioxol-5-yl(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one

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3-[1,3-benzodioxol-5-yl(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one
SpectraBase Compound ID KsSadM4MeRo
InChI InChI=1S/C26H16O8/c27-23-14-5-1-3-7-16(14)33-25(29)21(23)20(13-9-10-18-19(11-13)32-12-31-18)22-24(28)15-6-2-4-8-17(15)34-26(22)30/h1-11,20,27-28H,12H2
InChIKey RRHGSCFLDXVUNI-UHFFFAOYSA-N
Mol Weight 456.41 g/mol
Molecular Formula C26H16O8
Exact Mass 456.084517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 570AI8rSxv8
Name 3-[1,3-Benzodioxol-5-yl(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.084517467 u
Formula C26H16O8
InChI InChI=1S/C26H16O8/c27-23-14-5-1-3-7-16(14)33-25(29)21(23)20(13-9-10-18-19(11-13)32-12-31-18)22-24(28)15-6-2-4-8-17(15)34-26(22)30/h1-11,20,27-28H,12H2
InChIKey RRHGSCFLDXVUNI-UHFFFAOYSA-N
Molecular Weight 456.406 g/mol
SMILES OC1=C(C(C2=C(C=3C=CC=CC3OC2=O)O)C2=CC=3OCOC3C=C2)C(OC2=CC=CC=C12)=O