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3,4'-Dimethoxy-2-hydroxychalcone, pentafluoropropionate

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

3,4'-Dimethoxy-2-hydroxychalcone, pentafluoropropionate
SpectraBase Compound ID CjhlDOIwvbf
InChI InChI=1S/C20H15F5O5/c1-28-14-9-6-12(7-10-14)15(26)11-8-13-4-3-5-16(29-2)17(13)30-18(27)19(21,22)20(23,24)25/h3-11H,1-2H3/b11-8+
InChIKey VTIUCCBWRHBMCV-DHZHZOJOSA-N
Mol Weight 430.33 g/mol
Molecular Formula C20H15F5O5
Exact Mass 430.083964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1q2ZLvmkTaJ
Name 3,4'-Dimethoxy-2-hydroxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 430.083964393 u
Formula C20H15F5O5
InChI InChI=1S/C20H15F5O5/c1-28-14-9-6-12(7-10-14)15(26)11-8-13-4-3-5-16(29-2)17(13)30-18(27)19(21,22)20(23,24)25/h3-11H,1-2H3/b11-8+
InChIKey VTIUCCBWRHBMCV-DHZHZOJOSA-N
Molecular Weight 430.327 g/mol
SMILES C1(=CC=C(C=C1)OC)C(\C=C\C1=C(C(=CC=C1)OC)OC(C(C(F)(F)F)(F)F)=O)=O