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3,4-Dimethoxy-2'-hydroxy-5'-methylchalcone, trifluoroacetate

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

3,4-Dimethoxy-2'-hydroxy-5'-methylchalcone, trifluoroacetate
SpectraBase Compound ID m6Jn2RIpcR
InChI InChI=1S/C20H17F3O5/c1-12-4-8-16(28-19(25)20(21,22)23)14(10-12)15(24)7-5-13-6-9-17(26-2)18(11-13)27-3/h4-11H,1-3H3/b7-5+
InChIKey RIONWCMIUVQSGX-FNORWQNLSA-N
Mol Weight 394.35 g/mol
Molecular Formula C20H17F3O5
Exact Mass 394.102808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KACxRahc6mL
Name 3,4-Dimethoxy-2'-hydroxy-5'-methylchalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 394.102808131 u
Formula C20H17F3O5
InChI InChI=1S/C20H17F3O5/c1-12-4-8-16(28-19(25)20(21,22)23)14(10-12)15(24)7-5-13-6-9-17(26-2)18(11-13)27-3/h4-11H,1-3H3/b7-5+
InChIKey RIONWCMIUVQSGX-FNORWQNLSA-N
Molecular Weight 394.346 g/mol
SMILES C1(=CC(=CC=C1OC(C(F)(F)F)=O)C)C(\C=C\C1=CC=C(C(=C1)OC)OC)=O