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5,7-Dimethoxy-3-hydroxyflavone, chlorodifluoroacetate

View entire compound with spectra: 1 NMR

5,7-Dimethoxy-3-hydroxyflavone, chlorodifluoroacetate
SpectraBase Compound ID H27lqW0LzsK
InChI InChI=1S/C19H13ClF2O6/c1-25-11-8-12(26-2)14-13(9-11)27-16(10-6-4-3-5-7-10)17(15(14)23)28-18(24)19(20,21)22/h3-9H,1-2H3
InChIKey WURPZQUKBLENPJ-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 7ydvUqtHa4s
Name 5,7-Dimethoxy-3-hydroxyflavone, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 410.036872159 u
Formula C19H13ClF2O6
InChI InChI=1S/C19H13ClF2O6/c1-25-11-8-12(26-2)14-13(9-11)27-16(10-6-4-3-5-7-10)17(15(14)23)28-18(24)19(20,21)22/h3-9H,1-2H3
InChIKey WURPZQUKBLENPJ-UHFFFAOYSA-N
Molecular Weight 410.757 g/mol
SMILES C1=C(C=CC=C1)C1=C(OC(C(F)(F)Cl)=O)C(C2=C(C=C(C=C2O1)OC)OC)=O