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

*Links on SpectraBase are not permalinks.

Adipic acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

View entire compound with spectra: 1 NMR

Adipic acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 2XRQRziZ2Ui
InChI InChI=1S/C31H52F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-42-26(40)22-19-20-23-27(41)43-25-29(34,35)31(38,39)30(36,37)28(32)33/h28H,2-25H2,1H3
InChIKey JZGFGLJCQWOTIO-UHFFFAOYSA-N
Mol Weight 640.7 g/mol
Molecular Formula C31H52F8O4
Exact Mass 640.373785 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 JXR69m4sC8k
Name Adipic acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 640.373785454 u
Formula C31H52F8O4
InChI InChI=1S/C31H52F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-42-26(40)22-19-20-23-27(41)43-25-29(34,35)31(38,39)30(36,37)28(32)33/h28H,2-25H2,1H3
InChIKey JZGFGLJCQWOTIO-UHFFFAOYSA-N
Molecular Weight 640.740 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)CC(OCCCCCCCCCCCCCCCCCCCC)=O