Assign a structure for mass spectrometry data. 4. MW-114 CeH1002 M-15 M-29 M-43 M-57 IR 2950,...
Use the mass spectrometry, IR, proton NMR and carbon NMR data below to determine the structure of the molecule from which they result.
4. Determine the structure of an unknown compound whose mass, IR, and 'H-NMR spectra are shown below.. MS 100 43 71 Structure of the unknown compound 50 114 0 40 60 80 100 120 m/z IR H-NMR δ (ppm) 0
assign the major absorptions in the IR spectra, assign chemical
shifts in both NMR, designate the parent peak in the mass spectra
data and assign the major fragments to their corresponding peaks,
and finally provide the structure for the formula.
MF CHE MW 68 %C88.2 *H 11.8 Mass Spec. Data relative m/ abund. 21 3H .. Copyright © 1994 Note 'long-range' coupling. T TTTTTTTTTTTTTTTTT 2.4 2.2 2.0 Proton NMR 1.8 1.6 1.4 1.0 0.8 PPM Carbon 13 NMR
Propose a reasonable structure for this compound based on the mass spec, IR, and NMR data. 100 Relative Intensity M+ 10 20 30 40 60 70 80 90 50 m/z LUU TRINETTRICET 4000 3000 2000 cm1 1500 1000 500 ЗН Зн 2H тттттттттттттттттт 11 10 9 8 7 6 5 4 ppm 200 180 160 140 120 80 60 40 20 100 ppm
What structure matches the spectral data, assign peaks in the
NMR and IR above 1500, the mol ion and the m/z peak at 68
rper 2250 IR Spectrum Rould film 4000 3000 1200 800 2000 1600 V (cm) 100H 143 Mass Spectrum 80 41 M83 (<1%) 63 40 80 200 240 280 120 160 m/e TMS H NMR Spectrum (100 MHz, CDC, solution expensions at 400 MHZ 2013 to 226 203 1.07 10 9 O 3 8 7 6 5...
Preparation of Hexyl Acetate
mass 144g/mol
Mass Spectrometry Data Table Intensity 144amu m/t Cationic Structure *H NMR Data Table Structure (with labels) Label (1.e. H., H., etc) Chemical Shift (ppm) Integration (.e. 1H,2H, 3H, etc) Splitting les, d, t,a, m(5). etc) 13C NMR Data Table Structure (with labels) Label (Le.CC. etc) Chemical Shift (ppm) Type of Carbon (ie. C , CH, CH), CH) 124 We were unable to transcribe this imageDEPT Spectrum: Hexyl Acetate - 170.9186 -644353 - 13.7970 0...
Please draw a potential structure based on the [M], IR, H NMR,
and C NMR
Mass Spectrometry (not shown): [M] = 148 m/z Infrared Spectroscopy (not shown): 3062, 2964, 2934, 1687, 1449, 1214 cm 'H Nuclear Magnetic Resonance. 8 7 6 2H 1H2H 5 4 PPM 2H - 2H 3H * Nuclear Magnetic Resonance. 220 .200 .180 .160 .140 120 100 .80 .60 40 20
how do I fill this out?
Gas Chromatography Mass Spectrometry (GC-MS) Data Interpretation Section T Sam T llam T2pm Sam R 11am GC reten- tian time (min) Functional group(s) based on IR bond absorptions Parent radical cation m/z Molecular Degrees formula unsat uration Compound structure and IUPAC name Bolling point "C) carefully draw each fragment structure with the appropriate formal charge. You need only show one resonance form. 57 a cleavage) 43 (a-cleavage) 1.94 aldehyde or ketone CHO I 72...
Use the mass spectrum and either the NMR spectrum or the IR
spectrum to deduce the structure of the following compound
(c) C8HO3H NMR, 300 MHz, 6.1 ppm (singlet, 2H), 6.9 ppm (doublet, 1H), and 7.3 ppm (singlet, 1H), 7.4 ppm (doublet, 1H), 9.8 ppm (singlet, 1H); significant IR absorbances at 1687, 1602, 1449, 1264, 1038, 929, and 815 cm1. 100 149 (150) 80 60 40 121 63 20 65 91 0 15 20 25 30 35 40 45 50...
4. Propose a structure for a molecule whose mass spectrum shows a parent ion at m/z 100 with a base peak at m/z 43, an IR peak at 1720 cm' which gave the following 'H NMR spectrum. 33 N - PPM 5. Propose a structure for a molecule whose mass spectrum shows a parent ion at m/z 100 with a base peak at m/z 43, an IR peak at 1720 cm' which gave the following 'H NMR spectrum. doublet 2...