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2'-Hydroxy-2,3,4',6'-tetramethoxychalcone, trifluoroacetate

View entire compound with spectra: 1 NMR

2'-Hydroxy-2,3,4',6'-tetramethoxychalcone, trifluoroacetate
SpectraBase Compound ID 9zqxQKQKLc4
InChI InChI=1S/C21H19F3O7/c1-27-13-10-16(29-3)18(17(11-13)31-20(26)21(22,23)24)14(25)9-8-12-6-5-7-15(28-2)19(12)30-4/h5-11H,1-4H3/b9-8+
InChIKey XQCHZNDPSAINCJ-CMDGGOBGSA-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 6syJ6XolbVn
Name 2'-Hydroxy-2,3,4',6'-tetramethoxychalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 440.108287434 u
Formula C21H19F3O7
InChI InChI=1S/C21H19F3O7/c1-27-13-10-16(29-3)18(17(11-13)31-20(26)21(22,23)24)14(25)9-8-12-6-5-7-15(28-2)19(12)30-4/h5-11H,1-4H3/b9-8+
InChIKey XQCHZNDPSAINCJ-CMDGGOBGSA-N
Molecular Weight 440.371 g/mol
SMILES C1(=C(C=C(C=C1OC(C(F)(F)F)=O)OC)OC)C(\C=C\C1=C(C(=CC=C1)OC)OC)=O