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4,2'-Dihydroxy-3-methoxychalcone, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR

4,2'-Dihydroxy-3-methoxychalcone, bis(pentafluoropropionate)
SpectraBase Compound ID JN74L4zJk4o
InChI InChI=1S/C22H12F10O6/c1-36-16-10-11(7-9-15(16)38-18(35)20(25,26)22(30,31)32)6-8-13(33)12-4-2-3-5-14(12)37-17(34)19(23,24)21(27,28)29/h2-10H,1H3/b8-6+
InChIKey DCNLPASCVFGGEA-SOFGYWHQSA-N
Mol Weight 562.32 g/mol
Molecular Formula C22H12F10O6
Exact Mass 562.04742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kc9KCJEAtXh
Name 4,2'-Dihydroxy-3-methoxychalcone, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 562.047419730 u
Formula C22H12F10O6
InChI InChI=1S/C22H12F10O6/c1-36-16-10-11(7-9-15(16)38-18(35)20(25,26)22(30,31)32)6-8-13(33)12-4-2-3-5-14(12)37-17(34)19(23,24)21(27,28)29/h2-10H,1H3/b8-6+
InChIKey DCNLPASCVFGGEA-SOFGYWHQSA-N
Molecular Weight 562.316 g/mol
SMILES C1(=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=C(C(=C1)OC)OC(C(C(F)(F)F)(F)F)=O)=O