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2'-Hydroxy-3',4',4-trimethoxychalcone, trifluoroacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

2'-Hydroxy-3',4',4-trimethoxychalcone, trifluoroacetate
SpectraBase Compound ID KDGZ5iSZubn
InChI InChI=1S/C20H17F3O6/c1-26-13-7-4-12(5-8-13)6-10-15(24)14-9-11-16(27-2)18(28-3)17(14)29-19(25)20(21,22)23/h4-11H,1-3H3/b10-6+
InChIKey XTHXXLJIMOHPNC-UXBLZVDNSA-N
Mol Weight 410.35 g/mol
Molecular Formula C20H17F3O6
Exact Mass 410.097723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zCWE0Qf2zu
Name 2'-Hydroxy-3',4',4-trimethoxychalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 410.097722750 u
Formula C20H17F3O6
InChI InChI=1S/C20H17F3O6/c1-26-13-7-4-12(5-8-13)6-10-15(24)14-9-11-16(27-2)18(28-3)17(14)29-19(25)20(21,22)23/h4-11H,1-3H3/b10-6+
InChIKey XTHXXLJIMOHPNC-UXBLZVDNSA-N
Molecular Weight 410.345 g/mol
SMILES C1(=CC=C(C(=C1OC(C(F)(F)F)=O)OC)OC)C(\C=C\C1=CC=C(C=C1)OC)=O