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

*Links on SpectraBase are not permalinks.

Sebacic acid, 2,5-dichlorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-dichlorophenyl tetradecyl ester
SpectraBase Compound ID C7ETBZ1SqRz
InChI InChI=1S/C30H48Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-24-35-29(33)20-17-14-11-12-15-18-21-30(34)36-28-25-26(31)22-23-27(28)32/h22-23,25H,2-21,24H2,1H3
InChIKey FRKLWOSQYZMTFK-UHFFFAOYSA-N
Mol Weight 543.6 g/mol
Molecular Formula C30H48Cl2O4
Exact Mass 542.292965 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 3IQWxX1LwzH
Name Sebacic acid, 2,5-dichlorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.292965422 u
Formula C30H48Cl2O4
InChI InChI=1S/C30H48Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-24-35-29(33)20-17-14-11-12-15-18-21-30(34)36-28-25-26(31)22-23-27(28)32/h22-23,25H,2-21,24H2,1H3
InChIKey FRKLWOSQYZMTFK-UHFFFAOYSA-N
Molecular Weight 543.616 g/mol
SMILES C(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CCCCCCCC(OCCCCCCCCCCCCCC)=O