X-Ray Crystallography and NMR spectroscopy of some cyclohexyl esters

CR Baldwin, Melanie Britton, SC Davies, DG Gillies, DL Hughes, GW Smith

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


The X-ray structures and proton and carbon-13 NMR spectra have been obtained for two dicyclohexyl esters and one tricyclohexyl ester: namely, di-2-methylcyclohexylsuccinate (D2MCS), dicyclohexyl-3,4-furandicarboxylate (DCFDC) and tricyclohexyl-1,2,3-propanetricarboxylate (TCPTC). These esters are models for high-traction fluids. It was shown that the molecular modelling calculations we performed (on DCFDC and TCPTC) are not adequate for determining the minimum energy configuration of the compounds investigated.
Original languageEnglish
Pages (from-to)1-16
JournalJournal of Molecular Structure
Publication statusPublished - 1 Jan 1997


  • X-ray crystallography; NMR spectroscopy; Stereochemistry; Cyclohexyl ester; High traction fluid


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