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3',4'-Dimethoxy-7-hydroxyisoflavone, trifluoroacetate

View entire compound with spectra: 1 NMR

3',4'-Dimethoxy-7-hydroxyisoflavone, trifluoroacetate
SpectraBase Compound ID BHA4CfkAYPN
InChI InChI=1S/C19H13F3O6/c1-25-14-6-3-10(7-16(14)26-2)13-9-27-15-8-11(4-5-12(15)17(13)23)28-18(24)19(20,21)22/h3-9H,1-2H3
InChIKey GBLWVHBBWHNSCJ-UHFFFAOYSA-N
Mol Weight 394.3 g/mol
Molecular Formula C19H13F3O6
Exact Mass 394.066423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pRqxEgUC9K
Name 3',4'-Dimethoxy-7-hydroxyisoflavone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 394.066422622 u
Formula C19H13F3O6
InChI InChI=1S/C19H13F3O6/c1-25-14-6-3-10(7-16(14)26-2)13-9-27-15-8-11(4-5-12(15)17(13)23)28-18(24)19(20,21)22/h3-9H,1-2H3
InChIKey GBLWVHBBWHNSCJ-UHFFFAOYSA-N
Molecular Weight 394.302 g/mol
SMILES C1(=CC=C(C(=C1)OC)OC)C=1C(=O)C2=CC=C(C=C2OC1)OC(C(F)(F)F)=O