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2'-(Pentafluoropropionyl)oxy-2,4,5-trimethoxychalcone

View entire compound with spectra: 1 NMR

2'-(Pentafluoropropionyl)oxy-2,4,5-trimethoxychalcone
SpectraBase Compound ID HjWCK3wdlJj
InChI InChI=1S/C21H17F5O6/c1-29-16-11-18(31-3)17(30-2)10-12(16)8-9-14(27)13-6-4-5-7-15(13)32-19(28)20(22,23)21(24,25)26/h4-11H,1-3H3/b9-8+
InChIKey RSCGHIBFOZCMFJ-CMDGGOBGSA-N
Mol Weight 460.35 g/mol
Molecular Formula C21H17F5O6
Exact Mass 460.094529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3arxoT9vh2c
Name 2'-(Pentafluoropropionyl)oxy-2,4,5-trimethoxychalcone
Comments Computed using HOSE algorithm
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Exact Mass 460.094529076 u
Formula C21H17F5O6
InChI InChI=1S/C21H17F5O6/c1-29-16-11-18(31-3)17(30-2)10-12(16)8-9-14(27)13-6-4-5-7-15(13)32-19(28)20(22,23)21(24,25)26/h4-11H,1-3H3/b9-8+
InChIKey RSCGHIBFOZCMFJ-CMDGGOBGSA-N
Molecular Weight 460.353 g/mol
SMILES C1(=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC(=C(C=C1OC)OC)OC)=O