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4',6'-Dimethoxy-4-fluoro-2'-hydroxychalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

4',6'-Dimethoxy-4-fluoro-2'-hydroxychalcone, pentafluoropropionate
SpectraBase Compound ID DFmk6W49td8
InChI InChI=1S/C20H14F6O5/c1-29-13-9-15(30-2)17(14(27)8-5-11-3-6-12(21)7-4-11)16(10-13)31-18(28)19(22,23)20(24,25)26/h3-10H,1-2H3/b8-5+
InChIKey HFSGXJJDRPWQIR-VMPITWQZSA-N
Mol Weight 448.32 g/mol
Molecular Formula C20H14F6O5
Exact Mass 448.074543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GrxtsvsbuQ5
Name 4',6'-Dimethoxy-4-fluoro-2'-hydroxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 448.074542524 u
Formula C20H14F6O5
InChI InChI=1S/C20H14F6O5/c1-29-13-9-15(30-2)17(14(27)8-5-11-3-6-12(21)7-4-11)16(10-13)31-18(28)19(22,23)20(24,25)26/h3-10H,1-2H3/b8-5+
InChIKey HFSGXJJDRPWQIR-VMPITWQZSA-N
Molecular Weight 448.317 g/mol
SMILES C1(=C(C=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC)OC)C(\C=C\C1=CC=C(C=C1)F)=O