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4,2'-bis(Trifluoroacetyl)oxy-3-methoxy-5'-methylchalcone (isomer 2)

View entire compound with spectra: 1 NMR

4,2'-bis(Trifluoroacetyl)oxy-3-methoxy-5'-methylchalcone (isomer 2)
SpectraBase Compound ID Di8tTotblNd
InChI InChI=1S/C21H14F6O6/c1-11-3-7-15(32-18(29)20(22,23)24)13(9-11)14(28)6-4-12-5-8-16(17(10-12)31-2)33-19(30)21(25,26)27/h3-10H,1-2H3/b6-4+
InChIKey HKQOKJMRYORVQZ-GQCTYLIASA-N
Mol Weight 476.33 g/mol
Molecular Formula C21H14F6O6
Exact Mass 476.069457 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DyCuHIBphKR
Name 4,2'-bis(Trifluoroacetyl)oxy-3-methoxy-5'-methylchalcone (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 476.069457143 u
Formula C21H14F6O6
InChI InChI=1S/C21H14F6O6/c1-11-3-7-15(32-18(29)20(22,23)24)13(9-11)14(28)6-4-12-5-8-16(17(10-12)31-2)33-19(30)21(25,26)27/h3-10H,1-2H3/b6-4+
InChIKey HKQOKJMRYORVQZ-GQCTYLIASA-N
Molecular Weight 476.327 g/mol
SMILES C1(=C(C=CC(=C1)C)OC(C(F)(F)F)=O)C(\C=C\C=1C=CC(OC(C(F)(F)F)=O)=C(C1)OC)=O