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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 4-chloro-3-methylphenyl ester
SpectraBase Compound ID CFyw2NxM0di
InChI InChI=1S/C19H25ClO4/c1-3-4-11-23-18(21)15-7-5-6-8-16(15)19(22)24-14-9-10-17(20)13(2)12-14/h9-10,12,15-16H,3-8,11H2,1-2H3
InChIKey MEHGQLIZAHNMKH-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 GRqIRoz8BfS
Name 1,2-Cyclohexanedicarboxylic acid, butyl 4-chloro-3-methylphenyl 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/c1-3-4-11-23-18(21)15-7-5-6-8-16(15)19(22)24-14-9-10-17(20)13(2)12-14/h9-10,12,15-16H,3-8,11H2,1-2H3
InChIKey MEHGQLIZAHNMKH-UHFFFAOYSA-N
Molecular Weight 352.858 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=C(C(=C1)C)Cl)C(OCCCC)=O