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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl nonyl ester
SpectraBase Compound ID 1bOCZRUmShQ
InChI InChI=1S/C23H32Cl2O4/c1-2-3-4-5-6-7-10-15-28-22(26)18-11-8-9-12-19(18)23(27)29-21-16-17(24)13-14-20(21)25/h13-14,16,18-19H,2-12,15H2,1H3
InChIKey SDOALRVOJIBLAO-UHFFFAOYSA-N
Mol Weight 443.4 g/mol
Molecular Formula C23H32Cl2O4
Exact Mass 442.167765 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 5NRrwtb3Dfb
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.167764906 u
Formula C23H32Cl2O4
InChI InChI=1S/C23H32Cl2O4/c1-2-3-4-5-6-7-10-15-28-22(26)18-11-8-9-12-19(18)23(27)29-21-16-17(24)13-14-20(21)25/h13-14,16,18-19H,2-12,15H2,1H3
InChIKey SDOALRVOJIBLAO-UHFFFAOYSA-N
Molecular Weight 443.411 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCC)=O)(=O)OC1=CC(=CC=C1Cl)Cl