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

*Links on SpectraBase are not permalinks.

Sebacic acid, 2,5-dichlorophenyl hexyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-dichlorophenyl hexyl ester
SpectraBase Compound ID FbtNbKnCiVx
InChI InChI=1S/C22H32Cl2O4/c1-2-3-4-11-16-27-21(25)12-9-7-5-6-8-10-13-22(26)28-20-17-18(23)14-15-19(20)24/h14-15,17H,2-13,16H2,1H3
InChIKey FGWVRAAJJMQUJN-UHFFFAOYSA-N
Mol Weight 431.4 g/mol
Molecular Formula C22H32Cl2O4
Exact Mass 430.167765 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 D9u6HD1SXAS
Name Sebacic acid, 2,5-dichlorophenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.167764906 u
Formula C22H32Cl2O4
InChI InChI=1S/C22H32Cl2O4/c1-2-3-4-11-16-27-21(25)12-9-7-5-6-8-10-13-22(26)28-20-17-18(23)14-15-19(20)24/h14-15,17H,2-13,16H2,1H3
InChIKey FGWVRAAJJMQUJN-UHFFFAOYSA-N
Molecular Weight 431.400 g/mol
SMILES C(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CCCCCCCC(OCCCCCC)=O