The Aldrich Library depicts the structure of CHEM 25, CAS # 25265-71-8, to be Dipropylene glycol. Using Proton and Carbon-13 NMR, other Aldrich Library reference spectra, and COSY experiments we have concluded that the structure of CHEM 25 is actually a mixture of branched isopropyl isomers and is at least a triproplyene glycol. After analyzing the Proton and Carbon-13 NMR data we noticed a discrepancy in comparing these spectra to the spectrum of the CAS # of CHEM 25, found in Aldrich’s Library of Reference Spectrum. This led us to look further into Aldrich’s Library to find a spectrum that more closely matched our observed spectrum for CHEM 25. Once we found a closer match in Aldrich we began to propose other possible structures for CHEM 25. Using a COSY experiment we were able to choose which structure matched CHEM 25 as well as being able to prove The Aldrich Library has the wrong structure for CAS# 25265-71-8.
|Presenter:||Lawrence LaRussa (Undergraduate Student)|
|Time:||1:35 pm (Session III)|