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

*Links on SpectraBase are not permalinks.

Pimelic acid, di(3,5-dichlorobenzyl) ester

View entire compound with spectra: 1 NMR

Pimelic acid, di(3,5-dichlorobenzyl) ester
SpectraBase Compound ID 1PqbfFaZtLX
InChI InChI=1S/C21H20Cl4O4/c22-16-6-14(7-17(23)10-16)12-28-20(26)4-2-1-3-5-21(27)29-13-15-8-18(24)11-19(25)9-15/h6-11H,1-5,12-13H2
InChIKey MZEHVABTOWMDDB-UHFFFAOYSA-N
Mol Weight 478.2 g/mol
Molecular Formula C21H20Cl4O4
Exact Mass 476.01157 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 FMhbWEyoJKx
Name Pimelic acid, di(3,5-dichlorobenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.011569920 u
Formula C21H20Cl4O4
InChI InChI=1S/C21H20Cl4O4/c22-16-6-14(7-17(23)10-16)12-28-20(26)4-2-1-3-5-21(27)29-13-15-8-18(24)11-19(25)9-15/h6-11H,1-5,12-13H2
InChIKey MZEHVABTOWMDDB-UHFFFAOYSA-N
Molecular Weight 478.199 g/mol
SMILES C(OCC=1C=C(C=C(Cl)C1)Cl)(=O)CCCCCC(OCC1=CC(=CC(=C1)Cl)Cl)=O