13C NMR (100.13 MHz, acetone-D6): σ 15.5 (s, Me), 24.3 (s, Me), 29.9 (s, Me), 30.1 (s, Me), 30.3 (s, Me), 30.5 (s, Me), 30.7 (s, Me), 30.9 (s, Me), 31.1 (s, Me), 64.7 (s, Me), 115.7 (s, C=C), 122.5 (s, C=C), 133.5 (s, C=C), 156.4 (s, C=O), 170.8 (s, C=O), 210.5 (s, >C=S).…
Taking the 3H integrated signal together with the 2H quadruplet signal, this combined integration and splitting pattern was indicative of a CH2-CH3 group being present on the unknown molecule. The three hydrogens on the end of the molecule have only 2 neighboring hydrogens; according to the n+1 rule, the 3H integrated hydrogens therefore appear as a triplet splitting pattern. The 2H integrated hydrogens have 5 neighboring hydrogens; according to the n+1 rule the 2H integrated hydrogens therefore appear as a multiplet splitting pattern. This is precisely what was seen on the sample NMR, please see Fig. 4 above. The NMR also revealed a 2H triplet in the 2.3 ppm, slightly downfield from the other two peaks. This indicates that 2 hydrogens are attached to a carbon with 2 hydrogen neighbors as well as to a carbon having no hydrogen attachments. This is indeed the case with molecule 4-octyne. Furthermore, the shift downfield would be expected, because the 2 protons there are close to a pi electron cloud of an sp-hybridized atom, and a proton close to an sp-hybridized atom would be expected to show this slight shift downfield.iv The two remaining signals found near 1.0 ppm and 1.5 ppm were indicative of CH2-CH3 sp3-hybridized signals, further matching the unknown molecule with the proposed structure. Therefore, the integration, splitting pattern, and…
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.…
Cited: Manrique, C. (2012). Lab 2: Infra-Red (IR)- Nuclear Magnetic Resonance (NMR) Exercises In Molecular Spectroscopy- Structural Determination. Organic Chemistry Lab 2. Dallas. Tx.…
Part I: Atomic Structure – Fill in the missing information on atomic structure and organic compounds.…
Part I: Atomic Structure – Fill in the missing information on atomic structure and organic compounds.…
The first peak at 3058.86cm-1 indicates an alcohol functional group present in the compound. The other two peaks correspond to the peaks of aromatic carbon-carbon double bonds. The proton NMR acquired indicates two different hydrogen’s present in the compound which correctly corresponds to triphenylmethanol. The peak at about 7.4ppm is the peak for the aromatic hydrogens on the three phenyl rings. The peak at about 3.6ppm is the hydrogen part of the hydroxyl group. The carbon NMR acquired also corroborates the conclusion that the final compound is triphenylmethanol. The peak at about 82ppm corresponds with the carbon bonded to the alcohol functional group. The other four peaks correspond respectively to the carbons of the phenyl groups as indicated on the attached carbon NMR. The purified sample provided a melting point range of 85-87oC which is rather far off of the desired theoretical value of about 160oC. This large skew on the melting point range is most likely due to impurity being present in the final product producing a melting point depression.…
The observations I made were recorded in the data table 2 and located in the questions section of this lab report.…
This experiment was focused on the cooperative identification of organic compound by its chemical properties such as: slow melting point, mixed melting point, Rf values in TLC experiment, IR spectrum analysis, and H NMR spectra. Such data can provide the the identity of functional groups and the identity of the compound itself.…
Part I: Atomic Structure – Fill in the missing information on atomic structure and organic compounds.…
The next set of data was used in relation of different temperature levels in degrees Celsius instead of pH. In all four groups there was a change in value.…
Compound X has a molecular formula C8H10, and gives the 1H NMR below. What is the structure of X?…
3 carbons – trioses, 4 carbons – tetroses, 5 C’s – pentoses, 6 C’s – hexoses, 7 C’s – heptoses…
Appendicies: The following graphs are listed in ascending page number order: the IR spectrum of the molecule, the NMR spectrum of the molecule and the depiction of the NMR spectrum focusing the geminal hydrogens that are effected by the addition of the LSR.…
Table 4.1. The limit of detection value is 1µg/ml and limit of quantification value is…