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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylbut-2-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylbut-2-yl ester
SpectraBase Compound ID 1v8eMcNRIbj
InChI InChI=1S/C25H46O4/c1-5-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-21(4)20(2)3/h20-23H,5-19H2,1-4H3
InChIKey TWEAAHOWYWKMMF-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H46O4
Exact Mass 410.33961 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 J1X7682x8iE
Name 1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylbut-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.339609957 u
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-5-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-21(4)20(2)3/h20-23H,5-19H2,1-4H3
InChIKey TWEAAHOWYWKMMF-UHFFFAOYSA-N
Molecular Weight 410.639 g/mol
SMILES CCCCCCCCCCCCOC(C1CCCCC1C(=O)OC(C(C)C)C)=O