For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4',6'-Dimethoxy-2'-hydroxy-4-methylchalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

4',6'-Dimethoxy-2'-hydroxy-4-methylchalcone, pentafluoropropionate
SpectraBase Compound ID 4le5AG9uMcn
InChI InChI=1S/C21H17F5O5/c1-12-4-6-13(7-5-12)8-9-15(27)18-16(30-3)10-14(29-2)11-17(18)31-19(28)20(22,23)21(24,25)26/h4-11H,1-3H3/b9-8+
InChIKey RXQSUHKKTOZGCL-CMDGGOBGSA-N
Mol Weight 444.35 g/mol
Molecular Formula C21H17F5O5
Exact Mass 444.099614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IzW9id8p1tg
Name 4',6'-Dimethoxy-2'-hydroxy-4-methylchalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.099614457 u
Formula C21H17F5O5
InChI InChI=1S/C21H17F5O5/c1-12-4-6-13(7-5-12)8-9-15(27)18-16(30-3)10-14(29-2)11-17(18)31-19(28)20(22,23)21(24,25)26/h4-11H,1-3H3/b9-8+
InChIKey RXQSUHKKTOZGCL-CMDGGOBGSA-N
Molecular Weight 444.354 g/mol
SMILES C1(=C(C=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC)OC)C(\C=C\C1=CC=C(C=C1)C)=O