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3,2'-Dihydroxychalcone, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR, and 1 FTIR

3,2'-Dihydroxychalcone, bis(pentafluoropropionate)
SpectraBase Compound ID 12GMEd1EoSV
InChI InChI=1S/C21H10F10O5/c22-18(23,20(26,27)28)16(33)35-12-5-3-4-11(10-12)8-9-14(32)13-6-1-2-7-15(13)36-17(34)19(24,25)21(29,30)31/h1-10H/b9-8+
InChIKey JYDJLQGHARIQAA-CMDGGOBGSA-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 5TLLfPa5Zu5
Name 3,2'-Dihydroxychalcone, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.036855047 u
Formula C21H10F10O5
InChI InChI=1S/C21H10F10O5/c22-18(23,20(26,27)28)16(33)35-12-5-3-4-11(10-12)8-9-14(32)13-6-1-2-7-15(13)36-17(34)19(24,25)21(29,30)31/h1-10H/b9-8+
InChIKey JYDJLQGHARIQAA-CMDGGOBGSA-N
Molecular Weight 532.290 g/mol
SMILES C1(=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=CC(=C1)OC(C(C(F)(F)F)(F)F)=O)=O