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

*Links on SpectraBase are not permalinks.

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl tridecyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl tridecyl ester
SpectraBase Compound ID FR04m1y9RDp
InChI InChI=1S/C26H46O4/c1-4-5-6-7-8-9-10-11-12-13-16-20-29-25(27)23-17-14-15-18-24(23)26(28)30-21-19-22(2)3/h14-15,22-24H,4-13,16-21H2,1-3H3
InChIKey PMSVJCAASHARQZ-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 H9QU1fX60Re
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl tridecyl 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/c1-4-5-6-7-8-9-10-11-12-13-16-20-29-25(27)23-17-14-15-18-24(23)26(28)30-21-19-22(2)3/h14-15,22-24H,4-13,16-21H2,1-3H3
InChIKey PMSVJCAASHARQZ-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C=1CC(C(CC1)C(OCCC(C)C)=O)C(=O)OCCCCCCCCCCCCC