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

*Links on SpectraBase are not permalinks.

Succinic acid, octyl 2-(trifluoromethyl)benzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, octyl 2-(trifluoromethyl)benzyl ester
SpectraBase Compound ID Bn5Yd3wbxLE
InChI InChI=1S/C20H27F3O4/c1-2-3-4-5-6-9-14-26-18(24)12-13-19(25)27-15-16-10-7-8-11-17(16)20(21,22)23/h7-8,10-11H,2-6,9,12-15H2,1H3
InChIKey VZYQBMIGHXDYGJ-UHFFFAOYSA-N
Mol Weight 388.43 g/mol
Molecular Formula C20H27F3O4
Exact Mass 388.186144 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 7h1RAgUqn1O
Name Succinic acid, octyl 2-(trifluoromethyl)benzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.186143834 u
Formula C20H27F3O4
InChI InChI=1S/C20H27F3O4/c1-2-3-4-5-6-9-14-26-18(24)12-13-19(25)27-15-16-10-7-8-11-17(16)20(21,22)23/h7-8,10-11H,2-6,9,12-15H2,1H3
InChIKey VZYQBMIGHXDYGJ-UHFFFAOYSA-N
Molecular Weight 388.427 g/mol
SMILES C(CCC(OCC1=CC=CC=C1C(F)(F)F)=O)(OCCCCCCCC)=O