Acetaminophen Kbr

Our Infrared Spectroscopy (IR) spectrum for our Acetaminophen KBr pellet provided a handful of strong peaks and hints that helped us to hypothesize what functional groups might be in Acetaminophen. The peaks that were at the highest wavenumbers were analyzed first. The strong peak at 3325.82 cm-1 was an indicator that there was stretching occurring between a Hydrogen and Nitrogen atom. This signified that Acetaminophen could contain an amide group. The next defined peak is located at 3162.26 cm-1, and the section between these two peaks has a slight broad descend. This broad curve is tagged as stretching between a Hydrogen and Oxygen bond. Since the N-H bond deleted a broad curve typically seen for carboxylic acids, we are tagging this region
From our H1-NMR spectrum, there are five major peaks, and these peaks are located at 2.0 ppm, 6.7 ppm, 7.4 ppm, 8.2 ppm, and 9.0 ppm. The splittings associated with those peak positions are singlet, doublet of triplets, doublet of triplets, singlet, and singlet, respectively. The two doublet of triplet peak sections at 6.7 ppm and 7.4 ppm represent the aromatic Hydrogens, which covers four of the nine Hydrogens proposed by the hypothesized formula. The integrated values for the aromatic peaks includes 1, 2,1.9, and 1.4, which indicates that the integrated values will be off for some of the peaks. The peak at 2.0 ppm represents standard methyl Hydrogens, and the singlet split means that the methyl Hydrogens are isolated from other Hydrogen environments in Acetaminophen. Based upon the functional groups determined by IR and MS spectra, the methyl group must be located on the amide group via the carbonyl. The integrated amount for that peak is 5.35, but that would equal the total number Hydrogens proposed in the hypothesized formula. We have two other peaks left, so we tagged the peak as having three Hydrogens. The last two peaks are located the furthest to the left. This indicates that these protons are deshielded resulting in a large ppm peak location. Deshielding occurs when Hydrogens are bonded to electronegative
The retention time for Ibuprofen is 12.951 minutes, which was used to pick the correct peak that relates to Ibuprofen’s Mass Spectrometry spectra. The molecular mass of Ibuprofen from our MS spectrum is 206.0 g/mol. We continued the same process of determining the structure of Ibuprofen includes analyzing and subtracting the stable ion fragment peaks by the parent ion peak. The fragment peaks from our Ibuprofen spectrum are 161.2 g/mol, 119.2 g/mol, 107.2 g/mol, 91.2 g/mol and 41.2 g/mol. This MS spectrum required a different approach to analyzing the stable ion fragments. The first calculation done was subtracting 206.0 g/mol by 161.2 g/mol, and the difference is 44.8 g/mol, which is close to the added mass of a carboxylic acid fragment. This is an encouraging note since the IR spectrum showed carboxylic acid characteristics. The next subtraction completed was 206.0 g/mol by 119.2 g/mol, and the sum was equal to 86.8 g/mol, which did not show any exact fragment group. One possibility was that is equal to an aromatic ring with residues. In order to solidify more fragment determination, we subtracted 86.8 g/mol by 44.8 g/mol, and the difference is equal to 42 g/mol. This is close to the last fragment peak provided by the spectra. We subtracted 206.0 g/mol by 41.2 g/mol, and the difference is equal to 164.8 g/mol. Then I subtracted that sum value by the