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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 3,4-dimethylcyclohexyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,4-dimethylcyclohexyl octyl ester
SpectraBase Compound ID BTddkbvwVn7
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-15-27-23(25)20-11-10-12-21(17-20)24(26)28-22-14-13-18(2)19(3)16-22/h10-12,17-19,22H,4-9,13-16H2,1-3H3
InChIKey AYJMQKCDZVRTKZ-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 92HQeJrUAPo
Name Isophthalic acid, 3,4-dimethylcyclohexyl 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/c1-4-5-6-7-8-9-15-27-23(25)20-11-10-12-21(17-20)24(26)28-22-14-13-18(2)19(3)16-22/h10-12,17-19,22H,4-9,13-16H2,1-3H3
InChIKey AYJMQKCDZVRTKZ-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C(C1=CC(=CC=C1)C(OC1CCC(C(C1)C)C)=O)(OCCCCCCCC)=O