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7,4'-Dimethoxy-5-hydroxyisoflavone, chlorodifluoroacetate

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

7,4'-Dimethoxy-5-hydroxyisoflavone, chlorodifluoroacetate
SpectraBase Compound ID 2jEmmVK5j9l
InChI InChI=1S/C19H13ClF2O6/c1-25-11-5-3-10(4-6-11)13-9-27-14-7-12(26-2)8-15(16(14)17(13)23)28-18(24)19(20,21)22/h3-9H,1-2H3
InChIKey ZBSVZDHQWHROEC-UHFFFAOYSA-N
Mol Weight 410.76 g/mol
Molecular Formula C19H13ClF2O6
Exact Mass 410.036872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrkxhZL2f5J
Name 7,4'-Dimethoxy-5-hydroxyisoflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 410.036872159 u
Formula C19H13ClF2O6
InChI InChI=1S/C19H13ClF2O6/c1-25-11-5-3-10(4-6-11)13-9-27-14-7-12(26-2)8-15(16(14)17(13)23)28-18(24)19(20,21)22/h3-9H,1-2H3
InChIKey ZBSVZDHQWHROEC-UHFFFAOYSA-N
Molecular Weight 410.757 g/mol
SMILES C1(=CC=C(C=C1)OC)C=1C(=O)C2=C(C=C(C=C2OC1)OC)OC(C(F)(F)Cl)=O