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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 4-isopropylphenyl propyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-isopropylphenyl propyl ester
SpectraBase Compound ID C0fFnBl2Joz
InChI InChI=1S/C20H28O4/c1-4-13-23-19(21)17-7-5-6-8-18(17)20(22)24-16-11-9-15(10-12-16)14(2)3/h9-12,14,17-18H,4-8,13H2,1-3H3
InChIKey FSCUPDWJGYOUJJ-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 AimoYNdpAW6
Name 1,2-Cyclohexanedicarboxylic acid, 4-isopropylphenyl propyl 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/c1-4-13-23-19(21)17-7-5-6-8-18(17)20(22)24-16-11-9-15(10-12-16)14(2)3/h9-12,14,17-18H,4-8,13H2,1-3H3
InChIKey FSCUPDWJGYOUJJ-UHFFFAOYSA-N
Molecular Weight 332.440 g/mol
SMILES C1(=CC=C(C=C1)C(C)C)OC(C1CCCCC1C(=O)OCCC)=O