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

*Links on SpectraBase are not permalinks.

Terephthalic acid, cis-4-tert-butylcyclohexyl isohexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, cis-4-tert-butylcyclohexyl isohexyl ester
SpectraBase Compound ID dmIkkTwQ51
InChI InChI=1S/C24H36O4/c1-17(2)7-6-16-27-22(25)18-8-10-19(11-9-18)23(26)28-21-14-12-20(13-15-21)24(3,4)5/h8-11,17,20-21H,6-7,12-16H2,1-5H3
InChIKey HHJZLMPWSIXSPI-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 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 1NqWLrxfeAg
Name Terephthalic acid, cis-4-tert-butylcyclohexyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-17(2)7-6-16-27-22(25)18-8-10-19(11-9-18)23(26)28-21-14-12-20(13-15-21)24(3,4)5/h8-11,17,20-21H,6-7,12-16H2,1-5H3
InChIKey HHJZLMPWSIXSPI-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES CC(C)CCCOC(C1=CC=C(C(OC2CCC(CC2)C(C)(C)C)=O)C=C1)=O