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4'-Hydroxy-2'-methyl-3,4,5-trimethoxychalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

4'-Hydroxy-2'-methyl-3,4,5-trimethoxychalcone, pentafluoropropionate
SpectraBase Compound ID 2BbTgIiQTVu
InChI InChI=1S/C22H19F5O6/c1-12-9-14(33-20(29)21(23,24)22(25,26)27)6-7-15(12)16(28)8-5-13-10-17(30-2)19(32-4)18(11-13)31-3/h5-11H,1-4H3/b8-5+
InChIKey NXSJDCBQYDXLHC-VMPITWQZSA-N
Mol Weight 474.38 g/mol
Molecular Formula C22H19F5O6
Exact Mass 474.110179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBS32Y7I3lD
Name 4'-Hydroxy-2'-methyl-3,4,5-trimethoxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.110179141 u
Formula C22H19F5O6
InChI InChI=1S/C22H19F5O6/c1-12-9-14(33-20(29)21(23,24)22(25,26)27)6-7-15(12)16(28)8-5-13-10-17(30-2)19(32-4)18(11-13)31-3/h5-11H,1-4H3/b8-5+
InChIKey NXSJDCBQYDXLHC-VMPITWQZSA-N
Molecular Weight 474.380 g/mol
SMILES C1(=CC=C(C=C1C)OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC(=C(C(=C1)OC)OC)OC)=O