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CHEM 316: NMR Spectroscopy Laboratory Unknown #1 Harrison J.

. Katz CHEM 316, Central Connecticut State University Abstract : The identity of unknown number 1 was determined using Proton NMR spectroscopy. Approximately 20 mg of Unknown 1 were dissolved in a NMR sample tube using approximately 1.25 inches of deuterated chloro form. Dr. Neil Glagovich gave the molecular formula of C 6H5NO3. Using the molecular formula and the NMR spectra unknown 1 was determined to be o-nitrophenol. Introduction: Proton NMR uses a magnetic field to look at the energy different energy states in protons. The extent at which the states are affected is dependent on the electrons surrounding each proton. This includes ad jacent atoms and different types of bonding. The elec trons act like small magnets that change to overall magnetic field causing the absorbance values to show up at different values on the spectra. This is con sidered a chemical shift. Using a chemical shift correlation chart and the integration of the peaks, one can determine the struc ture. Chemical shift correlation charts are used to de termine the type of atoms or functional group that the hydrogen atom is bonded to. The integration of the peaks is important because the area can be used to de termine the number of hydrogens responsible for the peak. To prepare the sample an analytical balance was used to mass approximately 20 mg of unknown 1. Sample was placed into a NMR tube and approxim ately 1.25 inches of deuterated chloroform was added to the tube. The tube was caped and shook until all solid had dissolved. The sample was analyzed using the procedure provided by Dr. Neil Glagovich. Results and Discussion: From the analysis of the NMR spectra the un known solid seen in Figure 1 was determined to be onitrophenol Figure 2 shows to the structure. The peaks and there meanings are shown in Table 1.

O-nitrophenol

IHD=5
Figure 2: Shows o-nitrophenol numbered. The num bers will be referenced in the assignment part of Table 1. (ppm) Multiplicity Number H 10.604 8.121 7.601 7.170 7.011 s d t d t 1 1 1 1 1 Assignment O-H 3-H 5-H 6-H 4-H

Table 1: shows important signals and their meanings. In Table 1 the signals at 8.121, 7.601, 7.170, and 7.011 ppm means that it is an hydrogen attached to an aromatic carbon. The fact that the signals at 8.121 and 7.170 ppm are doublets mean they are attached to ad jacent carbons with only 1 other hydrogen. Combin ing the chemical shift and the multiplicity it can be determined that the benzene ring is disubstitued. Un derstanding that the ring is disubstitued the only pos sible configuration to obtain triplets at 7.601 and 7.011 ppm are to have the ring ortho substituted.

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