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

View entire compound with spectra: 1 NMR

3',4'-Dimethoxy-2'-hydroxychalcone, pentafluoropropionate
SpectraBase Compound ID HjDuOvcs6j1
InChI InChI=1S/C20H15F5O5/c1-28-15-11-9-13(14(26)10-8-12-6-4-3-5-7-12)16(17(15)29-2)30-18(27)19(21,22)20(23,24)25/h3-11H,1-2H3/b10-8+
InChIKey LFIYLPCTCHQDTP-CSKARUKUSA-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 KVmp2IQbwDH
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/c1-28-15-11-9-13(14(26)10-8-12-6-4-3-5-7-12)16(17(15)29-2)30-18(27)19(21,22)20(23,24)25/h3-11H,1-2H3/b10-8+
InChIKey LFIYLPCTCHQDTP-CSKARUKUSA-N
Molecular Weight 430.327 g/mol
SMILES C1(=CC=C(C(=C1OC(C(C(F)(F)F)(F)F)=O)OC)OC)C(\C=C\C1=CC=CC=C1)=O