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2',4'-Dihydroxychalcone, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR

2',4'-Dihydroxychalcone, bis(pentafluoropropionate)
SpectraBase Compound ID FEvFFBXgota
InChI InChI=1S/C21H10F10O5/c22-18(23,20(26,27)28)16(33)35-12-7-8-13(14(32)9-6-11-4-2-1-3-5-11)15(10-12)36-17(34)19(24,25)21(29,30)31/h1-10H/b9-6+
InChIKey NGJNPURXZHPMMH-RMKNXTFCSA-N
Mol Weight 532.29 g/mol
Molecular Formula C21H10F10O5
Exact Mass 532.036855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9t2XYUEcWdJ
Name 2',4'-Dihydroxychalcone, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
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Exact Mass 532.036855047 u
Formula C21H10F10O5
InChI InChI=1S/C21H10F10O5/c22-18(23,20(26,27)28)16(33)35-12-7-8-13(14(32)9-6-11-4-2-1-3-5-11)15(10-12)36-17(34)19(24,25)21(29,30)31/h1-10H/b9-6+
InChIKey NGJNPURXZHPMMH-RMKNXTFCSA-N
Molecular Weight 532.290 g/mol
SMILES C1(=CC=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=CC=C1)=O