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

*Links on SpectraBase are not permalinks.

Sebacic acid, 2,5-dichlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-dichlorophenyl undecyl ester
SpectraBase Compound ID 7UtCI5Ecs5H
InChI InChI=1S/C27H42Cl2O4/c1-2-3-4-5-6-7-10-13-16-21-32-26(30)17-14-11-8-9-12-15-18-27(31)33-25-22-23(28)19-20-24(25)29/h19-20,22H,2-18,21H2,1H3
InChIKey WHNYOICAHNDSAB-UHFFFAOYSA-N
Mol Weight 501.5 g/mol
Molecular Formula C27H42Cl2O4
Exact Mass 500.246015 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 B2VuNtVBzYV
Name Sebacic acid, 2,5-dichlorophenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.246015228 u
Formula C27H42Cl2O4
InChI InChI=1S/C27H42Cl2O4/c1-2-3-4-5-6-7-10-13-16-21-32-26(30)17-14-11-8-9-12-15-18-27(31)33-25-22-23(28)19-20-24(25)29/h19-20,22H,2-18,21H2,1H3
InChIKey WHNYOICAHNDSAB-UHFFFAOYSA-N
Molecular Weight 501.535 g/mol
SMILES C(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CCCCCCCC(OCCCCCCCCCCC)=O