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

View entire compound with spectra: 1 NMR

2'-Hydroxy-3,4,4',5-tetramethoxychalcone, trifluoroacetate
SpectraBase Compound ID Ck4M9YwRVhi
InChI InChI=1S/C21H19F3O7/c1-27-13-6-7-14(16(11-13)31-20(26)21(22,23)24)15(25)8-5-12-9-17(28-2)19(30-4)18(10-12)29-3/h5-11H,1-4H3/b8-5+
InChIKey NGOQZFYJFJZNQD-VMPITWQZSA-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 X1MA2IEEbw
Name 2'-Hydroxy-3,4,4',5-tetramethoxychalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 440.108287434 u
Formula C21H19F3O7
InChI InChI=1S/C21H19F3O7/c1-27-13-6-7-14(16(11-13)31-20(26)21(22,23)24)15(25)8-5-12-9-17(28-2)19(30-4)18(10-12)29-3/h5-11H,1-4H3/b8-5+
InChIKey NGOQZFYJFJZNQD-VMPITWQZSA-N
Molecular Weight 440.371 g/mol
SMILES C1(=CC=C(C=C1OC(C(F)(F)F)=O)OC)C(\C=C\C1=CC(=C(C(=C1)OC)OC)OC)=O