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4,2'-Dihydroxy-3-methoxychalcone, bis(trifluoroacetate)

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

4,2'-Dihydroxy-3-methoxychalcone, bis(trifluoroacetate)
SpectraBase Compound ID LTq4iDZfxaU
InChI InChI=1S/C20H12F6O6/c1-30-16-10-11(7-9-15(16)32-18(29)20(24,25)26)6-8-13(27)12-4-2-3-5-14(12)31-17(28)19(21,22)23/h2-10H,1H3/b8-6+
InChIKey BYNFGQBJSCPKGL-SOFGYWHQSA-N
Mol Weight 462.3 g/mol
Molecular Formula C20H12F6O6
Exact Mass 462.053807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEV62MVoznf
Name 4,2'-Dihydroxy-3-methoxychalcone, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.053807078 u
Formula C20H12F6O6
InChI InChI=1S/C20H12F6O6/c1-30-16-10-11(7-9-15(16)32-18(29)20(24,25)26)6-8-13(27)12-4-2-3-5-14(12)31-17(28)19(21,22)23/h2-10H,1H3/b8-6+
InChIKey BYNFGQBJSCPKGL-SOFGYWHQSA-N
Molecular Weight 462.300 g/mol
SMILES C1(=CC=CC=C1OC(C(F)(F)F)=O)C(\C=C\C1=CC=C(C(=C1)OC)OC(C(F)(F)F)=O)=O