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 1-phenylpropyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 1-phenylpropyl ester
SpectraBase Compound ID 6RWiD2Uupbc
InChI InChI=1S/C18H18F8O4/c1-2-12(11-6-4-3-5-7-11)30-14(28)9-8-13(27)29-10-16(21,22)18(25,26)17(23,24)15(19)20/h3-7,12,15H,2,8-10H2,1H3
InChIKey LSXXJSZBNZCDOL-UHFFFAOYSA-N
Mol Weight 450.33 g/mol
Molecular Formula C18H18F8O4
Exact Mass 450.107734 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 DWE0ewqUy0m
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 1-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.107734360 u
Formula C18H18F8O4
InChI InChI=1S/C18H18F8O4/c1-2-12(11-6-4-3-5-7-11)30-14(28)9-8-13(27)29-10-16(21,22)18(25,26)17(23,24)15(19)20/h3-7,12,15H,2,8-10H2,1H3
InChIKey LSXXJSZBNZCDOL-UHFFFAOYSA-N
Molecular Weight 450.325 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC(CC)C1=CC=CC=C1)=O