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

*Links on SpectraBase are not permalinks.

2,5-Dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylic acid, bis(2-ethylhexyl)ester

View entire compound with spectra: 2 NMR, 2 FTIR, 1 Raman, and 1 UV-Vis

2,5-Dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylic acid, bis(2-ethylhexyl)ester
SpectraBase Compound ID 2notfwmfQyb
InChI InChI=1S/C24H40O6/c1-5-9-11-17(7-3)15-29-23(27)19-13-22(26)20(14-21(19)25)24(28)30-16-18(8-4)12-10-6-2/h17-18,25-26H,5-16H2,1-4H3
InChIKey PDJARZJNXJGUNB-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C24H40O6
Exact Mass 424.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JNaKn3aoCLE
Name 2,5-Dihydroxy-1,4-cyclohexadiene-1,4-dicarboxylic acid, bis(2-ethylhexyl)ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.282489002 u
Formula C24H40O6
InChI InChI=1S/C24H40O6/c1-5-9-11-17(7-3)15-29-23(27)19-13-22(26)20(14-21(19)25)24(28)30-16-18(8-4)12-10-6-2/h17-18,25-26H,5-16H2,1-4H3
InChIKey PDJARZJNXJGUNB-UHFFFAOYSA-N
Molecular Weight 424.578 g/mol
SMILES OC=1CC(=C(CC1C(OCC(CCCC)CC)=O)O)C(OCC(CCCC)CC)=O