Nt1310 Lab 8

These two can share this single peak because the hydrogens are constantly swapping places with each other due to their position within the molecular structure and if the NMR was magnified, two peaks could be seen. Assignment 2: The peak located at 8.0 ppm is a doublet peak assigned to the hydrogen bonded to carbon on the aromatic ring closest to the carboxylic group. It is shifted .5-.6 ppm downfield of where hydrogens on a benzene ring would normally appear due to de-shielding by the nearby carboxyl group. Assignment 3: The 7.5 ppm triplet peak is indicative of the hydrogen bonded to carbon on the aromatic ring closest to the phenol group, again due to de-shielding by the nearby phenol group. The extra peak is likely due to the interaction of the O-H bond with the C-H bond. Assignment 4: 6.9 ppm has a triplet peak and is assigned to the two remaining C-H bonds on the aromatic

The molecular relationships consists of the bonding vibrations between specific elements. Carbon, hydrogen, and oxygen bonds are commonly witnessed in IR spectra. The focus on the bonding vibrations associated with these elements leads to IR’s use in organic chemistry. A key use of IR spectra is to determine functional groups within compounds and also to verify compound purity. For this experiment, the IR spectra will be used to determine plausible functional groups that exists in the samples. These functional groups will be verified or disregarded by the MS spectra ion fragment weights and the spectra produced by Hydrogen-1 and Carbon-13 Nuclear Magnetic Resonance Spectroscopy

The purpose of this experiment was to perform a reduction reaction using camphor in methanol with sodium borohydride. This reaction generated a mixture of diasteroemers; bornoel and isoborneol. NMR analysis was used to determine the product ratio of isoborneol to borneol. In this experiment, 100 mg of camphor, appearing as white crystals, were dissolve in 1 mL methanol. Four portions of approximately 25 mg of sodium borohydride were added.

The functional groups in glycerol are hydroxyl groups (OH). It belongs to the alcohol family and, due to its three hydroxyl groups, it is polar with a high bp/mp/H2O-sol.

Eucalyptol is also known as 1,8-cineole (1,3,3-trimethyl-2-oxabicyclo[2,2,2]octane) is a monocyclic monoterpene ether (oxide) (figure 1) with an aromatic and camphor like odour found in essential oils of Eucalyptus globules, Eucalyptus polybractea (not less than 70% of Eucalyptol)1, Helichrysum gymnocephalum (47.4% Eucalyptol)2 ,Zingiber chrysanthum Rosc. (42% Eucalyptol) 3 and many other aromatic plants. Because of its pleasant spicy aroma and taste, eucalyptol is used in flavouring agent, fragrances, and cosmetics. Eucalyptol is listed in Code of Federal Regulation as Flavouring Agents and Related Substances 4. Eucalyptol has been considered as generally recognised as safe (GRAS)

Analyzing the 13C NMR spectrum of the unknown sample #46, seven distinct signals were studied shown in table (2). Signal 1 had an observed peak value of 21.225 ppm and a calculated peak value11 of 20.8 ppm. Comparing with the literature ppm value5 range 5-30 ppm, signal 1 corresponds with CH3-C=O group. This signal was the second to the most upfield and shielded in the 13C NMR spectrum comparing with signal 7 because of the carbon high electron density. However, it was more downfield than signal 7 due to the presence of the oxygen in the group. Signal 2 had an observed peak value of 171.629 ppm and a calculated peak value10 of 171.0 ppm. Comparing with the literature value5 range 165-180 ppm, signal 2 corresponds with an ester group. Signal 2 is the most downfield and deshielded because the carbonyl group is in between two electronegative oxygens, therefore it could be concluded that there was an ester in the given compound.

In this molecular ion cleavage occur through RDA reaction. In the ionization process ene and diene with charges are formed. The base peak is at m/z 134, is due to the ene and the diene is at m/z 152, these fractions favor the fallowing mechanism, with the dissociation of ring present in the compound.

Butanol is an aliphatic alcohol with a four-carbon structure and the molecular formula of C4H10O, the general structure is shown below. There are four isomeric structures for butanol; 1-butanol (or n-butanol), iso-butanol, 2- butanol and tert-butanol. With the exception of tert-butanol, the isomers occur naturally as a product of fermentation of carbohydrates. Compared to diesel, butanol is a better fuel alternative because the CO2 output is lower than that of diesel, the energy output is -, and there are less pollutants formed by butanol.

IR spectrums were given for both o-nitrophenol and p-nitrophenol. For o-nitrophenol a strong broad vibration due to an O-H stretch at (Insert O-H Stretch Value for ortho) and for p-nitrophenol a very strong broad vibration due to O-H stretch at (Insert O-H stretch Value for para) can be seen. These both agree with the expected literature range for the vibrations for the O-H stretch of a Hydroxyl group of 3200-3500 cm-1 possibly being slightly lower due to conjugation within the aromatic ring. A weaker O-H stretch vibration can be seen in the ortho product due to aforementioned hydrogen bonding that occurs between the alcohol and nitro group of the benzene ring. Additionally in both the ortho and para products a medium strong sharp vibration

1x Hydrochloric Acid (2.0 strength) - Ensure when using this chemical gloves and eye protection is worn. If it is touched and comes into contact with the eyes or skin it can be harmful. If this does occur the laboratory is fitted with eye washers and showers. Alert the teacher and they will be of assistance. If inhaled it can cause coughing, chest pain and inflammation. Therefore open the windows in the room as it can be a very strong chemical to inhale.

The second spectrum had five distinct signals with no signs of symmetry and therefore must be coming from the ortho isomer. For this ortho isomer the calculated and observed peak values were quite different. This could have been due to many factors. These factors include the temperature, concentration, and PH of the sample and also the type of spectrometer used.8 One major difference can be caused by the solvent used for the sample. The observed spectrum was performed using CDCl3 but it was very likely the calculated spectrum was performed using a different solvent such as DMSO. Depending on the structure, bonding behaves differently to each solvent. Another reason that the calculated values may vary from observed values is that the

The organic layer was transferred into a smaller flask using a pipette and placed onto a hot plate to boil out the methylene chloride and ether from the solution to isolate the clove oil. The clove oil was a slight yellowish color and weighed out to about a gram. The oil that was collected was analysed using the IR spectrometer. The resulting data obtained from the spectrophotometer was subsequently analyzed to identify and confirm presence of functional groups. Major functional groups present in the graph were expected. The groups include the presence of an alcohol, carbon-hydrogen bond, carbon-carbon double bond and a benzene ring.The GC-2014 Shimadzu gas chromatograph was used to determine percent composition of oil with eugenol at 61.31% and beta-caryophyllene at 28.21%

The IR spectrum of 8a showed stretching bands for the N−H bond at 3357 cm–1 and for C=O bonds of the lactone and ester functionalities at 1733, 1677 and 1614 cm–1. The mass spectrum of 8a displayed the molecular ion (M+) peak at m/z = 425, which was 16 units (an oxygen atom) less than that of the 1:1:1:1 adduct of salicylaldehyde, Meldrum’s acid, cyclohexyl isocyanide and dimethyl acetylenedicarboxylate with the loss of a H2O and an acetone molecule. The 1H-NMR spectrum of 8a exhibited three single sharp lines arising from the two methoxy groups (at δ(H) 3.78 and 3.94 ppm) and the coumarin vinylic H atom (at 7.77). A fairly sharp doublet was seen at 6.83 (J = 8.2 Hz) for the amine NH group because of coupling with the CH of the cyclohexyl ring. Characteristic multiplets with appropriate chemical shifts and coupling constants for the eleven H-atoms of the cyclohexyl ring and the four H-atoms of the aromatic moiety were observed in the aliphatic and aromatic region of the spectrum, respectively. The 1H-decoupled 13C-NMR spectrum of 8a showed characteristic signals at δ(C) 24.5, 25.4 and 33.4 ppm (due to the methylenes of the cyclohexyl ring), 51.3 and 52.5 (for the two methoxy groups), and 51.5 (arising from the NCH moiety). A shielded resonance was observed at 88.8 (due to the NOC=C moiety) as well as five deshielded resonances

At this point, only the anisole was eliminated. The 1H NMR, RM-03-NMRC1, eliminated more options. The spectra showed that there were protons on a ring, multiplet at 7.32 ppm, and two other types of protons. One type of proton was a quartet at 2.74 ppm and the other was a triplet at 1.33 ppm. This data, if interpreted correctly means that the compound consist of an ethyl group and a ring. Other peaks shown on the spectrum RM-02-NMRC1 were two peaks for 1,2-dimethoxyethane, and one for acetone. This means that with fraction was slightly contaminated, as well as the NMR tube was not completely dry. At this point it was determined that the identity of the compound in fraction C was ethylbenzene. This identity was confirmed with the 13C NMR. The RM-03-NMR2C2 spectrum shows that six types of carbons were present. Two of the six types of carbons were sp3 hybridized and found in the 0-75 ppm region. The two peaks were found at 29.1 ppm and 16.0 ppm. In the region between 50-80 ppm, a peak for CDCl3 was shown, as well as, two small peaks from 1,2-dimethoxyethane. In the region of 100-150 ppm, a cluster for the carbons on the ring was found at 127.8 ppm and125.8 ppm, while an sp2 hybridized peak was observed at 144.4

Symptoms determine the classification of chemical weapons of mass destruction, such as blistering and nerve agents (Porteus 2). Other forms “include: blood agents, including cyanide, arsine, cyanogen chloride, and hydrogen chloride; choking agents, including chlorine, diphosgene and phosgene; other nerve agents; and vesicants, such as distilled mustard, ethyldichloroarsine, mustard-lewisite mixture, and forms of nitrogen mustard” (Porteus 2-3). Included also are harassing agents, such as riot control chemicals and vomiting agents (Porteus 3). The primary chemical weapons are mustard gas, sarin (GB), VX, soman (GD), and tabun (Porteus 2). Skin contact, inhalation, eye contact, deployment via commercial handheld agricultural sprayers, crop dusters, and spray tanks on aircraft or ships, deployment via munitions delivered by gravity bombs, or in warheads on ballistic or cruise missiles, water and food contamination, and opening a container full of harmful chemicals in a crowded area are all delivery systems of chemical weapons of mass destruction (Porteus 3). Burning or blistering of the skin and