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4'-Hydroxy-4-methoxy-2'-methylchalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

4'-Hydroxy-4-methoxy-2'-methylchalcone, pentafluoropropionate
SpectraBase Compound ID 7YUI9H9Or1i
InChI InChI=1S/C20H15F5O4/c1-12-11-15(29-18(27)19(21,22)20(23,24)25)8-9-16(12)17(26)10-5-13-3-6-14(28-2)7-4-13/h3-11H,1-2H3/b10-5+
InChIKey PCYIMMULCQDYOK-BJMVGYQFSA-N
Mol Weight 414.33 g/mol
Molecular Formula C20H15F5O4
Exact Mass 414.08905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFmANlWDemR
Name 4'-Hydroxy-4-methoxy-2'-methylchalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 414.089049774 u
Formula C20H15F5O4
InChI InChI=1S/C20H15F5O4/c1-12-11-15(29-18(27)19(21,22)20(23,24)25)8-9-16(12)17(26)10-5-13-3-6-14(28-2)7-4-13/h3-11H,1-2H3/b10-5+
InChIKey PCYIMMULCQDYOK-BJMVGYQFSA-N
Molecular Weight 414.328 g/mol
SMILES C1(=CC=C(C=C1C)OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=C(C=C1)OC)=O