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

*Links on SpectraBase are not permalinks.

Succinic acid, 1,1,1-trifluoroprop-2-yl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 1,1,1-trifluoroprop-2-yl pentafluorobenzyl ester
SpectraBase Compound ID DP9OKzeuDSt
InChI InChI=1S/C14H10F8O4/c1-5(14(20,21)22)26-8(24)3-2-7(23)25-4-6-9(15)11(17)13(19)12(18)10(6)16/h5H,2-4H2,1H3
InChIKey COIOXBKUZJWVQL-UHFFFAOYSA-N
Mol Weight 394.22 g/mol
Molecular Formula C14H10F8O4
Exact Mass 394.045134 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 HU2qdF3lv64
Name Succinic acid, 1,1,1-trifluoroprop-2-yl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.045134102 u
Formula C14H10F8O4
InChI InChI=1S/C14H10F8O4/c1-5(14(20,21)22)26-8(24)3-2-7(23)25-4-6-9(15)11(17)13(19)12(18)10(6)16/h5H,2-4H2,1H3
InChIKey COIOXBKUZJWVQL-UHFFFAOYSA-N
Molecular Weight 394.217 g/mol
SMILES C(CC(OC(C)C(F)(F)F)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O