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

*Links on SpectraBase are not permalinks.

2'-(Heptafluorobutyryl)oxy-2,3,6'-trimethoxychalcone

View entire compound with spectra: 1 NMR

2'-(Heptafluorobutyryl)oxy-2,3,6'-trimethoxychalcone
SpectraBase Compound ID B9Ac2LlSITm
InChI InChI=1S/C22H17F7O6/c1-32-14-7-5-8-15(35-19(31)20(23,24)21(25,26)22(27,28)29)17(14)13(30)11-10-12-6-4-9-16(33-2)18(12)34-3/h4-11H,1-3H3/b11-10+
InChIKey NRRSLQRDBAPCQG-ZHACJKMWSA-N
Mol Weight 510.36 g/mol
Molecular Formula C22H17F7O6
Exact Mass 510.091335 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 GiW1wYEKu6W
Name 2'-(Heptafluorobutyryl)oxy-2,3,6'-trimethoxychalcone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.091335402 u
Formula C22H17F7O6
InChI InChI=1S/C22H17F7O6/c1-32-14-7-5-8-15(35-19(31)20(23,24)21(25,26)22(27,28)29)17(14)13(30)11-10-12-6-4-9-16(33-2)18(12)34-3/h4-11H,1-3H3/b11-10+
InChIKey NRRSLQRDBAPCQG-ZHACJKMWSA-N
Molecular Weight 510.361 g/mol
SMILES C1(=C(C=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)C(\C=C\C1=C(C(=CC=C1)OC)OC)=O