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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, heptadecyl isobutyl ester

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

1,2-Cyclohexanedicarboxylic acid, heptadecyl isobutyl ester
SpectraBase Compound ID 1WnBAXkEpll
InChI InChI=1S/C29H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)26-21-18-19-22-27(26)29(31)33-24-25(2)3/h25-27H,4-24H2,1-3H3
InChIKey NFBITMHQFRGOQB-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 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 7jCcyb2Zr18
Name 1,2-Cyclohexanedicarboxylic acid, heptadecyl isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)26-21-18-19-22-27(26)29(31)33-24-25(2)3/h25-27H,4-24H2,1-3H3
InChIKey NFBITMHQFRGOQB-UHFFFAOYSA-N
Molecular Weight 466.747 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCCCCCCCCCC)=O)(=O)OCC(C)C