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 pentadecyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl pentadecyl ester
SpectraBase Compound ID 8UU9DT7TJmB
InChI InChI=1S/C28H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-31-27(29)25-19-16-17-20-26(25)28(30)32-23-21-24(2)3/h16-17,24-26H,4-15,18-23H2,1-3H3
InChIKey GUHJPLDKGYGRGZ-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 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 3wPp8szbjRC
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-31-27(29)25-19-16-17-20-26(25)28(30)32-23-21-24(2)3/h16-17,24-26H,4-15,18-23H2,1-3H3
InChIKey GUHJPLDKGYGRGZ-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES C=1CC(C(CC1)C(OCCC(C)C)=O)C(=O)OCCCCCCCCCCCCCCC