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- 5- In Trans-XeF Cl; determine Itotal, Ttran., Frot. and Tvib., Which mode(s) is (are) active in IR and Raman spectroscopy?IBU NAP O O 1 2 Fill out the table below for 2 compounds (please indicate coupling constant for every peak). Chemical shift Multiplicity Integral Coupling Constant Assignment (Hz) (ppm) (e.g. 4.04) (e.g.ddt) (e.g. 2H) (e.g. J = 8.2, 4.5, 2.1 Hz)| (e.g. H₂) OH OHme art I. Answer the following questions giving as much detail of your reasoning as possible 1. Why is important the population distribution in spectroscopy in general? Use the formula below to answer: Nupper/Niower e(-AE /KT) where k 1.381 x 1023 JK1 %3D Also include a simple scheme (or 3 schemes) that applies to IR, UV-vis and NMR spectroscopy
- Identify the following in the given IR Mass spectrum. Compound 1 Mass Spectroscopy: Interpretation of peaks: Compound 1 Mass Spectroscopy: MASS SPECTRUM 100 80 60 40 20 0.0- 10 20 30 40 50 60 70 m/z Interpretation of peaks: Rel. Intensity7) The correct structure that corresponds to the spectroscopic data given below is [IR 2720, 1710 1 point cm*1. 1H NMR 9.80(s, 1H), 7.50(dd, J = 8,0Hz, 2Hz, 1H), 7.40(d, J = 2.0Hz, 1H), 6.90(d, J = 8.0Hz, 1H), 3.90(s, 3H), 3.80(s, 3H)] COOH OMe Me CHO OMe OMe CHO OMe OMe COOH OMe MeFrom this mass spectroscopy, determine the molecule correspond? Masse molaire (g/mol) Abundance 70000] 60000 50000 40000 30000 20000 10000 m/z--> 0 38 50 Bromo-2,4- dinitrobenzène 75 247 g/mol 107 100 154 KSCN à 50 % 97,18 (d=1,34) (12.703 min) 170 218 246 150 200 250 Bu4NBr 322,37 g/mol 3 03:23 36382 300 350 400 2,4- dinitrophényl thiocyanate 225 g/mol 449473 5833 TITIITT 450 500 550 KBr 119 g/mol
- The data is for the molecular formula C8H8O3 (vanillin) with a mass of 152. Analyze the Mass spec data (include a table listing the molecular ion, base peak, and any other relevant fragments) – also include structures of fragments.The molecular ion region of the spectrum of biphenyl. M1 is observed at m/z 154 and the intensity of M 1 1 is 12.9% of M1. What formulas of the type CnHxOyNz are consistent with the spectrum?Q1. Calculate the resolution required to resolve peaks for (a) CH₂N (M= 28.0187) and C₂H4* (M = 28.0313). (b) C3H7N3+ (M = 85.0641) and C5H9O+ (M = 85.0653). (d) androst-4-en-3,17,-dione (M+) at m/z = 286.1930 and an impurity at 286.1240.
- 3D2: Recognize and interpret four levels of 1H NMR data: H group signal symmetry, peak height, signal splitting, and chemical shift (8) in the determination of organic structure. (a) Complete the data table for the given 'H NMR spectrum. 1H NMR Spectrum 10 9 label a b с d 8 7 6 8 (ppm) 1 5 1H, t (b) Deduce a structure for a MF of C6H12Osthat fits the 'H NMR data set. I 4 6H, s 1 3 2H, di #H (peak height/integral) 3H, s 2 1 splitting TMS 4 0 8 (ppm)Question 3 [20]3.1 Propose structures for compounds that fit the following data:a) A ketone with M+ = 72 and fragments at m/z = 57 and m/z = 29(3)b) An alkane with M+ = 86 and fragments at m/z = 71, m/z = 41 and m/z = 15(4)3.2 Propose fragmentation patterns of the molecules below to determine which molecule willshow m/z peaks at 43, 57, 87, 101 and 116:a) Isopropyl bromideb) Propyl chloridec) sec-Butyl isopropyl ether(13)The 3'P {'H} NMR spectrum of cis-[Pt(PEt,),Cl,] (19$Pt (33.8% abundance) I=½; its other isotopes are NMR inactive; 31P:I=½) is comprised with satellite peaks of a (a) triplet (b) singlet (c) doublet (d) quartlet