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

*Links on SpectraBase are not permalinks.
1,2-Dioctanoyl-sn-glycerol, o-pentafluoropropionyl-
SpectraBase Compound ID FZT82gVTSga
InChI InChI=1S/C22H35F5O6/c1-3-5-7-9-11-13-18(28)31-15-17(33-19(29)14-12-10-8-6-4-2)16-32-20(30)21(23,24)22(25,26)27/h17H,3-16H2,1-2H3
InChIKey PWZZBXPEQICMSP-UHFFFAOYSA-N
Mol Weight 490.5 g/mol
Molecular Formula C22H35F5O6
Exact Mass 490.23538 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 92UbHTCO3s3
Name 1,2-Dioctanoyl-sn-glycerol, o-pentafluoropropionyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.235379656 u
Formula C22H35F5O6
InChI InChI=1S/C22H35F5O6/c1-3-5-7-9-11-13-18(28)31-15-17(33-19(29)14-12-10-8-6-4-2)16-32-20(30)21(23,24)22(25,26)27/h17H,3-16H2,1-2H3
InChIKey PWZZBXPEQICMSP-UHFFFAOYSA-N
Molecular Weight 490.508 g/mol
SMILES C(OC(CCCCCCC)=O)C(COC(C(C(F)(F)F)(F)F)=O)OC(CCCCCCC)=O