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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl dodecyl ester

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

1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl dodecyl ester
SpectraBase Compound ID H0Xv0hZ5iDe
InChI InChI=1S/C28H50O4/c1-2-3-4-5-6-7-8-9-10-16-22-31-27(29)25-19-14-15-20-26(25)28(30)32-23-21-24-17-12-11-13-18-24/h24-26H,2-23H2,1H3
InChIKey NGEAJBDVYIQVRX-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 CKJnbIp8kDF
Name 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl dodecyl 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/c1-2-3-4-5-6-7-8-9-10-16-22-31-27(29)25-19-14-15-20-26(25)28(30)32-23-21-24-17-12-11-13-18-24/h24-26H,2-23H2,1H3
InChIKey NGEAJBDVYIQVRX-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES C(OC(C1CCCCC1C(OCCCCCCCCCCCC)=O)=O)CC1CCCCC1