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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, isohexyl 4-isopropyloxyphenyl diester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, isohexyl 4-isopropyloxyphenyl diester
SpectraBase Compound ID IfClKpJYRh7
InChI InChI=1S/C23H34O5/c1-16(2)8-7-15-26-22(24)20-9-5-6-10-21(20)23(25)28-19-13-11-18(12-14-19)27-17(3)4/h11-14,16-17,20-21H,5-10,15H2,1-4H3
InChIKey CSSBNPHZOQASOV-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 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 Gj2tyMJ12Nq
Name 1,2-Cyclohexanedicarboxylic acid, isohexyl 4-isopropyloxyphenyl diester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.240624190 u
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-16(2)8-7-15-26-22(24)20-9-5-6-10-21(20)23(25)28-19-13-11-18(12-14-19)27-17(3)4/h11-14,16-17,20-21H,5-10,15H2,1-4H3
InChIKey CSSBNPHZOQASOV-UHFFFAOYSA-N
Molecular Weight 390.520 g/mol
SMILES C(C1CCCCC1C(=O)OC1=CC=C(C=C1)OC(C)C)(OCCCC(C)C)=O