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- The 1H- and 13C-NMR data of an ester of molecular formula C6H10O2 are given below. Also shown are the COSY and HETCOR NMR spectra of the ester. Draw the structure of the ester, explaining how you reach your conclusion. 1H-NMR: 7.20-6.90 (1H), 5.85 (1H), 4.16 (2H), 1.88 (3H), 1.31 (3H) ppm 13C-NMR: 166.7, 144.5, 123.0 , 60.2, 18.0, 14.3 ppm3 The 1H- and 13C-NMR data of an ester of molecular formula C6H10O2 are given below. Also shown are the COSY and HETCOR NMR spectra of the ester. Identify the ester, explaining how you reach your conclusion. 1H-NMR: 7.20-6.90 (1H), 5.85 (1H), 4.16 (2H), 1.88 (3H), 1.31 (3H) ppm 13C-NMR: 166.7, 144.5, 123.0 , 60.2, 18.0, 14.3 ppm2. Use the spectroscopic data provided below to answer the questions.a. Determine the structure of C5H8O from the IR and NMR data given.IR: 3023 cm-1, 1685 cm-1, 1619 cm-1. 13C-NMR: 7.9 ppm, 32.9 ppm, 127.7 ppm, 136.5 ppm, 201.1 ppm1H-NMR: 1.1 ppm (t, 3H), 2.6 ppm (q, 2H), 5.8 ppm (d, 1H), 6.23 ppm (d, 1H), 6.34 (t, 1H)b. Identify all of the Lewis acid sites and the Lewis base sites on your molecule.
- The proton NMR spectrum for a compound with formula C10H12O2is shown below.The infrared spectrum has a strong band al 1711 cm-1. The normal carbon-13 NMRspectral results are tabulated along with the DEPT-135 and DEPT-90 information. Drawthe structure of this compound.13C NMR of Mesityl Oxide explainIs it possible to distinguish between the following compounds using the spectroscopic techniques covered in CHE331? If so, discuss how. If not, discuss why.Benzonitrile vs Benzaldehyde(a) UV spectroscopy(b) IR spectroscopy(c) Mass spectrometry(d) 13C NMR spectroscopy(e) 1H NMR spectroscopy
- 22. A compound with the molecular formula C8H8O produces an IR spectrum with signals at 3063, 1686, and 1646 cm-1. The 1H NMR spectrum of this compound exhibits a singlet at 2.6ppm(l=3H), and a multiplet at 7.5(l= 5H). Draw the structure and give the common name of this compound . Show the correlations between the structure and spectra.A chemist records an ESI accurate mass spectrum of an intermediate during a synthesis. The desired compound is C29H31N3O8S. She sees a peak(M+H)^(+) on her ESI-TOF LCMS at 583.1733. The two possibilites for the incorrect feature are A: incoporation of a deuterium at an acidic site from the CDCL3 used for NMR she ran immedately prior LC-MS or B: An amide was hydrolyzed to an acid. Assuming the mass spectrometer is well calibrated, which of these two options is supported by the data. Be sure to explain your answer.Deduce the structures of compounds A and B, two of the major components of jasmine oil, from the given data. Compound A: C9H10O2; IR absorptions at 3091–2895 and 1743 cm-1; 1H NMR signals at 2.06 (singlet, 3 H), 5.08 (singlet, 2 H), and 7.33 (broad singlet, 5 H) ppm. Compound B: C14H12O2; IR absorptions at 3091–2953 and 1718 cm-1; 1H NMR signals at 5.35 (singlet, 2 H) and 7.26–8.15 (multiplets, 10 H) ppm.
- Determine the correct structure of the compound, which shows following 13C NMR DEPT-135 data is 13C NMR DEPT-135: negative peaks at δ30.2, 31.9, 61.8, 114.7 ppm; positive peak at 130.4 ppm.The NMR spectra for compound 1 were acquired in a 7.5 mg / 0.6 mL solution ofCDCl3 . The 1H and 13C peaks are also listedbelow. Provide a full analysis of the NMR spectra for compound 1. correct assignment of NMR spectra of both 13C spectra. correct rationalisation of 13C spectrum1H NMR (400 MHz, CDCl3) δ 7.73 (d, J = 9.5 Hz, 1H), 7.56 (ddd, J = 8.5, 7.5, 1.6 Hz, 1H),7.51 (dd, J = 7.5, 1.6 Hz, 1H), 7.36 (d, J = 8.5 Hz, 1H), 7.30 (dd, J = 8.5, 7.5 Hz, 1H), 6.45(d, J = 9.5 Hz, 1H).13C NMR (101 MHz, CDCl3) δ 160.79, 154.09, 143.43, 131.85, 127.87, 124.44, 118.86,116.94, 116.74.Note: There are two carbon peaks in the 13C spectrum that are so close together that they are not differentiable at the resolution in this experiment. you should be able to assign these peaks to one of two carbon atoms in 1.On the basis of the molecular formula, 1H NMR data, and IR data provided, propose a consistent structure. Moleculal Formula: C2H3Cl31H NMR data: δ 3.95 (d, 2H), 5.77 (t, 1H)IR data: 2950 cm–1, and several peaks below 820 cm–1.