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

*Links on SpectraBase are not permalinks.

Glutaric acid, pentyl 1-phenyl-2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, pentyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID 2pjHMWrCmVJ
InChI InChI=1S/C18H23F3O4/c1-2-3-7-13-24-15(22)11-8-12-16(23)25-17(18(19,20)21)14-9-5-4-6-10-14/h4-6,9-10,17H,2-3,7-8,11-13H2,1H3
InChIKey METURVVGIMGXJR-UHFFFAOYSA-N
Mol Weight 360.37 g/mol
Molecular Formula C18H23F3O4
Exact Mass 360.154844 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 Ea8spoHatqu
Name Glutaric acid, pentyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.154843706 u
Formula C18H23F3O4
InChI InChI=1S/C18H23F3O4/c1-2-3-7-13-24-15(22)11-8-12-16(23)25-17(18(19,20)21)14-9-5-4-6-10-14/h4-6,9-10,17H,2-3,7-8,11-13H2,1H3
InChIKey METURVVGIMGXJR-UHFFFAOYSA-N
Molecular Weight 360.373 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCC)=O