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

*Links on SpectraBase are not permalinks.

2'-Hydroxy-4,4',6'-trimethoxychalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

2'-Hydroxy-4,4',6'-trimethoxychalcone, pentafluoropropionate
SpectraBase Compound ID AZeXVfmzXhi
InChI InChI=1S/C21H17F5O6/c1-29-13-7-4-12(5-8-13)6-9-15(27)18-16(31-3)10-14(30-2)11-17(18)32-19(28)20(22,23)21(24,25)26/h4-11H,1-3H3/b9-6+
InChIKey VDRGSUFZLMJWOT-RMKNXTFCSA-N
Mol Weight 460.35 g/mol
Molecular Formula C21H17F5O6
Exact Mass 460.094529 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 A5rn1tzI7iw
Name 2'-Hydroxy-4,4',6'-trimethoxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.094529076 u
Formula C21H17F5O6
InChI InChI=1S/C21H17F5O6/c1-29-13-7-4-12(5-8-13)6-9-15(27)18-16(31-3)10-14(30-2)11-17(18)32-19(28)20(22,23)21(24,25)26/h4-11H,1-3H3/b9-6+
InChIKey VDRGSUFZLMJWOT-RMKNXTFCSA-N
Molecular Weight 460.353 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)OC)=O