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

*Links on SpectraBase are not permalinks.

Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-(4-methoxyphenyl)cyclohexyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-(4-methoxyphenyl)cyclohexyl ester
SpectraBase Compound ID 9WIAVVDECZ6
InChI InChI=1S/C23H26F8O5/c1-34-16-9-5-14(6-10-16)15-7-11-17(12-8-15)36-19(33)4-2-3-18(32)35-13-21(26,27)23(30,31)22(28,29)20(24)25/h5-6,9-10,15,17,20H,2-4,7-8,11-13H2,1H3
InChIKey UXYJWKXDULZSKX-UHFFFAOYSA-N
Mol Weight 534.44 g/mol
Molecular Formula C23H26F8O5
Exact Mass 534.165249 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 9rLeoCQue5r
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-(4-methoxyphenyl)cyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.165249236 u
Formula C23H26F8O5
InChI InChI=1S/C23H26F8O5/c1-34-16-9-5-14(6-10-16)15-7-11-17(12-8-15)36-19(33)4-2-3-18(32)35-13-21(26,27)23(30,31)22(28,29)20(24)25/h5-6,9-10,15,17,20H,2-4,7-8,11-13H2,1H3
InChIKey UXYJWKXDULZSKX-UHFFFAOYSA-N
Molecular Weight 534.443 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1CCC(C2=CC=C(OC)C=C2)CC1)=O