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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, di(5-methoxy-3-methylpentyl) ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, di(5-methoxy-3-methylpentyl) ester
SpectraBase Compound ID AWRewb8hH6
InChI InChI=1S/C22H40O6/c1-17(9-13-25-3)11-15-27-21(23)19-7-5-6-8-20(19)22(24)28-16-12-18(2)10-14-26-4/h17-20H,5-16H2,1-4H3
InChIKey IZOWJPQLTPMKMD-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C22H40O6
Exact Mass 400.282489 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 6wHQMyAtqqs
Name 1,2-Cyclohexanedicarboxylic acid, di(5-methoxy-3-methylpentyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.282489002 u
Formula C22H40O6
InChI InChI=1S/C22H40O6/c1-17(9-13-25-3)11-15-27-21(23)19-7-5-6-8-20(19)22(24)28-16-12-18(2)10-14-26-4/h17-20H,5-16H2,1-4H3
InChIKey IZOWJPQLTPMKMD-UHFFFAOYSA-N
Molecular Weight 400.556 g/mol
SMILES C(C1CCCCC1C(OCCC(C)CCOC)=O)(=O)OCCC(CCOC)C