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

*Links on SpectraBase are not permalinks.

Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl non-5-yn-3-yl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl non-5-yn-3-yl ester
SpectraBase Compound ID KNIzmodC7ab
InChI InChI=1S/C18H22F8O4/c1-3-5-6-7-8-12(4-2)30-14(28)10-9-13(27)29-11-16(21,22)18(25,26)17(23,24)15(19)20/h12,15H,3-5,8-11H2,1-2H3
InChIKey QSUYVFGVAZTKLT-UHFFFAOYSA-N
Mol Weight 454.36 g/mol
Molecular Formula C18H22F8O4
Exact Mass 454.139034 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 JRBB410qxOn
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl non-5-yn-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.139034488 u
Formula C18H22F8O4
InChI InChI=1S/C18H22F8O4/c1-3-5-6-7-8-12(4-2)30-14(28)10-9-13(27)29-11-16(21,22)18(25,26)17(23,24)15(19)20/h12,15H,3-5,8-11H2,1-2H3
InChIKey QSUYVFGVAZTKLT-UHFFFAOYSA-N
Molecular Weight 454.357 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC(CC#CCCC)CC)=O