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

*Links on SpectraBase are not permalinks.

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

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

Terephthalic acid, cis-4-tert-butylcyclohexyl isobutyl ester
SpectraBase Compound ID 9LrwK5SQU17
InChI InChI=1S/C22H32O4/c1-15(2)14-25-20(23)16-6-8-17(9-7-16)21(24)26-19-12-10-18(11-13-19)22(3,4)5/h6-9,15,18-19H,10-14H2,1-5H3
InChIKey QCOKZHHQACSDDE-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 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 AnvAfKejwum
Name Terephthalic acid, cis-4-tert-butylcyclohexyl isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-15(2)14-25-20(23)16-6-8-17(9-7-16)21(24)26-19-12-10-18(11-13-19)22(3,4)5/h6-9,15,18-19H,10-14H2,1-5H3
InChIKey QCOKZHHQACSDDE-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C(C1=CC=C(C=C1)C(OCC(C)C)=O)(OC1CCC(CC1)C(C)(C)C)=O