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Chromone, 2-[2-[3,5-dihydroxyphenyl]ethenyl]-5-hydroxy-
SpectraBase Compound ID 83zmT9LGK6j
InChI InChI=1S/C21H20O8/c1-10-14(6-5-11-7-12(22)9-13(23)8-11)29-18-15(16(10)24)17(25)19(26-2)21(28-4)20(18)27-3/h5-9,22-23,25H,1-4H3/b6-5+
InChIKey OUTWDDOLLXVXMF-AATRIKPKSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jQXQnfhMWt
Name Chromone, 2-[2-[3,5-dihydroxyphenyl]ethenyl]-5-hydroxy-
Comments Computed using HOSE algorithm
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Exact Mass 400.115817596 u
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-10-14(6-5-11-7-12(22)9-13(23)8-11)29-18-15(16(10)24)17(25)19(26-2)21(28-4)20(18)27-3/h5-9,22-23,25H,1-4H3/b6-5+
InChIKey OUTWDDOLLXVXMF-AATRIKPKSA-N
Molecular Weight 400.383 g/mol
SMILES C12=C(C(=C(C(=C2O)OC)OC)OC)OC(=C(C1=O)C)\C=C\C1=CC(=CC(=C1)O)O