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2,4-Dimethoxy-2'-(pentafluoropropionyl)oxy-5'-methylchalcone

View entire compound with spectra: 1 NMR

2,4-Dimethoxy-2'-(pentafluoropropionyl)oxy-5'-methylchalcone
SpectraBase Compound ID FEfOBJ9LWqM
InChI InChI=1S/C21H17F5O5/c1-12-4-9-17(31-19(28)20(22,23)21(24,25)26)15(10-12)16(27)8-6-13-5-7-14(29-2)11-18(13)30-3/h4-11H,1-3H3/b8-6+
InChIKey UWIWJIVNASIOIU-SOFGYWHQSA-N
Mol Weight 444.35 g/mol
Molecular Formula C21H17F5O5
Exact Mass 444.099614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fur88jfMTd8
Name 2,4-Dimethoxy-2'-(pentafluoropropionyl)oxy-5'-methylchalcone
Comments Computed using HOSE algorithm
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Exact Mass 444.099614457 u
Formula C21H17F5O5
InChI InChI=1S/C21H17F5O5/c1-12-4-9-17(31-19(28)20(22,23)21(24,25)26)15(10-12)16(27)8-6-13-5-7-14(29-2)11-18(13)30-3/h4-11H,1-3H3/b8-6+
InChIKey UWIWJIVNASIOIU-SOFGYWHQSA-N
Molecular Weight 444.354 g/mol
SMILES C1(=C(C=CC(=C1)C)OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C=1C=CC(OC)=CC1OC)=O