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

View entire compound with spectra: 1 NMR

4,4'-Dimethoxy-2'-hydroxychalcone, pentafluoropropionate
SpectraBase Compound ID LOjC80pTlea
InChI InChI=1S/C20H15F5O5/c1-28-13-6-3-12(4-7-13)5-10-16(26)15-9-8-14(29-2)11-17(15)30-18(27)19(21,22)20(23,24)25/h3-11H,1-2H3/b10-5+
InChIKey WDVNRAAYFWABAJ-BJMVGYQFSA-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 Pv9kcoaEQd
Name 4,4'-Dimethoxy-2'-hydroxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 430.083964393 u
Formula C20H15F5O5
InChI InChI=1S/C20H15F5O5/c1-28-13-6-3-12(4-7-13)5-10-16(26)15-9-8-14(29-2)11-17(15)30-18(27)19(21,22)20(23,24)25/h3-11H,1-2H3/b10-5+
InChIKey WDVNRAAYFWABAJ-BJMVGYQFSA-N
Molecular Weight 430.327 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)OC)(C1=CC=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC)=O