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

*Links on SpectraBase are not permalinks.

Sebacic acid, 2,3-dichlorobenzyl hexyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3-dichlorobenzyl hexyl ester
SpectraBase Compound ID 2zomsaSi38B
InChI InChI=1S/C23H34Cl2O4/c1-2-3-4-11-17-28-21(26)15-9-7-5-6-8-10-16-22(27)29-18-19-13-12-14-20(24)23(19)25/h12-14H,2-11,15-18H2,1H3
InChIKey QUBSGDPBNJMYIM-UHFFFAOYSA-N
Mol Weight 445.4 g/mol
Molecular Formula C23H34Cl2O4
Exact Mass 444.183415 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 YJRKM2ZNc
Name Sebacic acid, 2,3-dichlorobenzyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.183414971 u
Formula C23H34Cl2O4
InChI InChI=1S/C23H34Cl2O4/c1-2-3-4-11-17-28-21(26)15-9-7-5-6-8-10-16-22(27)29-18-19-13-12-14-20(24)23(19)25/h12-14H,2-11,15-18H2,1H3
InChIKey QUBSGDPBNJMYIM-UHFFFAOYSA-N
Molecular Weight 445.427 g/mol
SMILES C(CCCCCCC(OCCCCCC)=O)CC(OCC1=CC=CC(=C1Cl)Cl)=O