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

*Links on SpectraBase are not permalinks.

cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-ethylbutyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-ethylbutyl ester
SpectraBase Compound ID 2eQjYQUt60q
InChI InChI=1S/C26H46O4/c1-4-7-8-9-10-11-12-13-14-17-20-29-25(27)23-18-15-16-19-24(23)26(28)30-21-22(5-2)6-3/h15-16,22-24H,4-14,17-21H2,1-3H3
InChIKey DSRYLCDPJCQCGM-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 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 FTZAknISzFd
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-ethylbutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-4-7-8-9-10-11-12-13-14-17-20-29-25(27)23-18-15-16-19-24(23)26(28)30-21-22(5-2)6-3/h15-16,22-24H,4-14,17-21H2,1-3H3
InChIKey DSRYLCDPJCQCGM-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C=1CC(C(CC1)C(OCC(CC)CC)=O)C(=O)OCCCCCCCCCCCC