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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl octyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl octyl ester
SpectraBase Compound ID ATiYZCRnMgX
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-11-14-27-23(25)21-12-9-10-13-22(21)24(26)28-20-16-18(2)15-19(3)17-20/h15-17,21-22H,4-14H2,1-3H3
InChIKey ODRLEQCPLZNYHB-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 E3eGOAXaUF6
Name 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl octyl 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/c1-4-5-6-7-8-11-14-27-23(25)21-12-9-10-13-22(21)24(26)28-20-16-18(2)15-19(3)17-20/h15-17,21-22H,4-14H2,1-3H3
InChIKey ODRLEQCPLZNYHB-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1(=CC(=CC(=C1)C)C)OC(C1CCCCC1C(OCCCCCCCC)=O)=O