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4'-Hydroxy-2,3',5,5'-tetramethoxychalcone, trifluoroacetate

View entire compound with spectra: 1 NMR

4'-Hydroxy-2,3',5,5'-tetramethoxychalcone, trifluoroacetate
SpectraBase Compound ID Eq48m3Mabc8
InChI InChI=1S/C21H19F3O7/c1-27-14-6-8-16(28-2)12(9-14)5-7-15(25)13-10-17(29-3)19(18(11-13)30-4)31-20(26)21(22,23)24/h5-11H,1-4H3/b7-5+
InChIKey ZOEYZOZUKGDHCA-FNORWQNLSA-N
Mol Weight 440.37 g/mol
Molecular Formula C21H19F3O7
Exact Mass 440.108287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPxux6HnANx
Name 4'-Hydroxy-2,3',5,5'-tetramethoxychalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 440.108287434 u
Formula C21H19F3O7
InChI InChI=1S/C21H19F3O7/c1-27-14-6-8-16(28-2)12(9-14)5-7-15(25)13-10-17(29-3)19(18(11-13)30-4)31-20(26)21(22,23)24/h5-11H,1-4H3/b7-5+
InChIKey ZOEYZOZUKGDHCA-FNORWQNLSA-N
Molecular Weight 440.371 g/mol
SMILES C1(=CC(=C(C(=C1)OC)OC(C(F)(F)F)=O)OC)C(\C=C\C1=C(C=CC(=C1)OC)OC)=O