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

*Links on SpectraBase are not permalinks.

Glutaric acid, 2-chloro-6-fluorobenzyl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-chloro-6-fluorobenzyl heptadecyl ester
SpectraBase Compound ID L5xQFEtdugJ
InChI InChI=1S/C29H46ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-34-28(32)21-18-22-29(33)35-24-25-26(30)19-17-20-27(25)31/h17,19-20H,2-16,18,21-24H2,1H3
InChIKey WNVLCTWEGKWMIJ-UHFFFAOYSA-N
Mol Weight 513.1 g/mol
Molecular Formula C29H46ClFO4
Exact Mass 512.306866 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 EP3ioEkxGZG
Name Glutaric acid, 2-chloro-6-fluorobenzyl heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.306865820 u
Formula C29H46ClFO4
InChI InChI=1S/C29H46ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-34-28(32)21-18-22-29(33)35-24-25-26(30)19-17-20-27(25)31/h17,19-20H,2-16,18,21-24H2,1H3
InChIKey WNVLCTWEGKWMIJ-UHFFFAOYSA-N
Molecular Weight 513.134 g/mol
SMILES C(COC(=O)CCCC(OCC1=C(C=CC=C1F)Cl)=O)CCCCCCCCCCCCCCC