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3-Methoxy-4,2',5'-trihydroxychalcone, tris(pentafluoropropionate)

View entire compound with spectra: 1 NMR

3-Methoxy-4,2',5'-trihydroxychalcone, tris(pentafluoropropionate)
SpectraBase Compound ID 5Cdda7l7L2X
InChI InChI=1S/C25H11F15O8/c1-45-16-8-10(3-6-15(16)48-19(44)22(30,31)25(38,39)40)2-5-13(41)12-9-11(46-17(42)20(26,27)23(32,33)34)4-7-14(12)47-18(43)21(28,29)24(35,36)37/h2-9H,1H3/b5-2+
InChIKey SENHPLPLNRMSLA-GORDUTHDSA-N
Mol Weight 724.33 g/mol
Molecular Formula C25H11F15O8
Exact Mass 724.02144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RtWKyfwGE6
Name 3-Methoxy-4,2',5'-trihydroxychalcone, tris(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 724.021439751 u
Formula C25H11F15O8
InChI InChI=1S/C25H11F15O8/c1-45-16-8-10(3-6-15(16)48-19(44)22(30,31)25(38,39)40)2-5-13(41)12-9-11(46-17(42)20(26,27)23(32,33)34)4-7-14(12)47-18(43)21(28,29)24(35,36)37/h2-9H,1H3/b5-2+
InChIKey SENHPLPLNRMSLA-GORDUTHDSA-N
Molecular Weight 724.331 g/mol
SMILES C1(=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)OC(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