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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl ethyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl ethyl ester
SpectraBase Compound ID CTwra9YRUSC
InChI InChI=1S/C17H21ClO4/c1-3-21-16(19)13-6-4-5-7-14(13)17(20)22-12-8-9-15(18)11(2)10-12/h8-10,13-14H,3-7H2,1-2H3
InChIKey DSGYJPIHUBWYTG-UHFFFAOYSA-N
Mol Weight 324.8 g/mol
Molecular Formula C17H21ClO4
Exact Mass 324.112837 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 90jr3zXq6nt
Name 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.112836852 u
Formula C17H21ClO4
InChI InChI=1S/C17H21ClO4/c1-3-21-16(19)13-6-4-5-7-14(13)17(20)22-12-8-9-15(18)11(2)10-12/h8-10,13-14H,3-7H2,1-2H3
InChIKey DSGYJPIHUBWYTG-UHFFFAOYSA-N
Molecular Weight 324.804 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC(C)=C(C=C1)Cl)C(OCC)=O