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

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

2',4'-Dihydroxy-4-methoxychalcone, bis(trifluoroacetate)
SpectraBase Compound ID JP6QocxGxEu
InChI InChI=1S/C20H12F6O6/c1-30-12-5-2-11(3-6-12)4-9-15(27)14-8-7-13(31-17(28)19(21,22)23)10-16(14)32-18(29)20(24,25)26/h2-10H,1H3/b9-4+
InChIKey RZQLPUCOIWDPGX-RUDMXATFSA-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 5VGz1ype43z
Name 2',4'-Dihydroxy-4-methoxychalcone, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
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Exact Mass 462.053807078 u
Formula C20H12F6O6
InChI InChI=1S/C20H12F6O6/c1-30-12-5-2-11(3-6-12)4-9-15(27)14-8-7-13(31-17(28)19(21,22)23)10-16(14)32-18(29)20(24,25)26/h2-10H,1H3/b9-4+
InChIKey RZQLPUCOIWDPGX-RUDMXATFSA-N
Molecular Weight 462.300 g/mol
SMILES C1(=CC=C(C=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(\C=C\C1=CC=C(C=C1)OC)=O