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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Glutaric acid, hexadecyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID DVSNFdTZE1l
InChI InChI=1S/C29H45F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-35-26(33)22-19-23-27(34)36-28(29(30,31)32)25-20-16-15-17-21-25/h15-17,20-21,28H,2-14,18-19,22-24H2,1H3
InChIKey VIDQGRURRMJEDZ-UHFFFAOYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C29H45F3O4
Exact Mass 514.326994 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 5TO8dUA4OWB
Name Glutaric acid, hexadecyl 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 514.326994414 u
Formula C29H45F3O4
InChI InChI=1S/C29H45F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-35-26(33)22-19-23-27(34)36-28(29(30,31)32)25-20-16-15-17-21-25/h15-17,20-21,28H,2-14,18-19,22-24H2,1H3
InChIKey VIDQGRURRMJEDZ-UHFFFAOYSA-N
Molecular Weight 514.670 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCCCCCCCCCCCCC)=O