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

*Links on SpectraBase are not permalinks.

3',4'-Dimethoxy-7-(pentafluoropropionyl)oxyisoflavone

View entire compound with spectra: 1 NMR

3',4'-Dimethoxy-7-(pentafluoropropionyl)oxyisoflavone
SpectraBase Compound ID BygSQ8L2rp0
InChI InChI=1S/C20H13F5O6/c1-28-14-6-3-10(7-16(14)29-2)13-9-30-15-8-11(4-5-12(15)17(13)26)31-18(27)19(21,22)20(23,24)25/h3-9H,1-2H3
InChIKey DYJJWOLWBPDBAK-UHFFFAOYSA-N
Mol Weight 444.31 g/mol
Molecular Formula C20H13F5O6
Exact Mass 444.063229 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 1Ks8UItzl2C
Name 3',4'-Dimethoxy-7-(pentafluoropropionyl)oxyisoflavone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.063228948 u
Formula C20H13F5O6
InChI InChI=1S/C20H13F5O6/c1-28-14-6-3-10(7-16(14)29-2)13-9-30-15-8-11(4-5-12(15)17(13)26)31-18(27)19(21,22)20(23,24)25/h3-9H,1-2H3
InChIKey DYJJWOLWBPDBAK-UHFFFAOYSA-N
Molecular Weight 444.310 g/mol
SMILES C1(=CC(OC)=C(C=C1)OC)C=1C(=O)C2=C(C=C(OC(C(C(F)(F)F)(F)F)=O)C=C2)OC1