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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, butyl 3,4-dimethylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 3,4-dimethylphenyl ester
SpectraBase Compound ID FOUMTBTM61h
InChI InChI=1S/C20H28O4/c1-4-5-12-23-19(21)17-8-6-7-9-18(17)20(22)24-16-11-10-14(2)15(3)13-16/h10-11,13,17-18H,4-9,12H2,1-3H3
InChIKey LXGQELJJSLNTHK-UHFFFAOYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 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 HP20f2EUDbQ
Name 1,2-Cyclohexanedicarboxylic acid, butyl 3,4-dimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-4-5-12-23-19(21)17-8-6-7-9-18(17)20(22)24-16-11-10-14(2)15(3)13-16/h10-11,13,17-18H,4-9,12H2,1-3H3
InChIKey LXGQELJJSLNTHK-UHFFFAOYSA-N
Molecular Weight 332.440 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC(=C(C=C1)C)C)C(OCCCC)=O