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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl pentyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl pentyl ester
SpectraBase Compound ID 9E00nqXgpzL
InChI InChI=1S/C19H25ClO4/c1-2-3-8-13-23-18(21)14-9-4-5-10-15(14)19(22)24-17-12-7-6-11-16(17)20/h6-7,11-12,14-15H,2-5,8-10,13H2,1H3
InChIKey KPLPMJGMUYNOAR-UHFFFAOYSA-N
Mol Weight 352.86 g/mol
Molecular Formula C19H25ClO4
Exact Mass 352.144137 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 KcjMk6Z5HFy
Name 1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.144136981 u
Formula C19H25ClO4
InChI InChI=1S/C19H25ClO4/c1-2-3-8-13-23-18(21)14-9-4-5-10-15(14)19(22)24-17-12-7-6-11-16(17)20/h6-7,11-12,14-15H,2-5,8-10,13H2,1H3
InChIKey KPLPMJGMUYNOAR-UHFFFAOYSA-N
Molecular Weight 352.858 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)Cl)(OCCCCC)=O