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

*Links on SpectraBase are not permalinks.

Glutaric acid, 2,4,5-trifluorobenzyl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,4,5-trifluorobenzyl heptadecyl ester
SpectraBase Compound ID LyAh6AHdQdv
InChI InChI=1S/C29H45F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-35-28(33)18-17-19-29(34)36-23-24-21-26(31)27(32)22-25(24)30/h21-22H,2-20,23H2,1H3
InChIKey YFJKIQJRASBKRD-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 A3kljxV1eGF
Name Glutaric acid, 2,4,5-trifluorobenzyl heptadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-35-28(33)18-17-19-29(34)36-23-24-21-26(31)27(32)22-25(24)30/h21-22H,2-20,23H2,1H3
InChIKey YFJKIQJRASBKRD-UHFFFAOYSA-N
Molecular Weight 514.670 g/mol
SMILES C(C1=CC(=C(C=C1F)F)F)OC(=O)CCCC(OCCCCCCCCCCCCCCCCC)=O