Relative Intensity 100 80 60 40 20 Unknown #4 Elemental Analysis: 68.90% Carbon, 15.03% Hydrogen, 16.07% Nitrogen Mass Spec Mass of Molecular lon= 87 m/z 0 10 20 30 50 60 70 90 100 m/z 13C NMR 200 120 160 COS-19-743 140 120 100 rpm 80 60 40 20 30 0 1H NMR IR DR. 100 50 9 7 HSP-47-243 ppm 2 122 double للر три 1500 1000 500 4000 3000 2000-1500 Chemical Formula: HDI Calculation: Proposed Structure:
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- THANSHITTANCETST Relative Intensity LOD 5D Unknown #2 Elemental Analysis: 55.81% Carbon, 7.03% Hydrogen, 37.17% Oxygen Exchanges 100 MS-NW-4945 80- 60 40 40 20 0 10 20 30 40 40 4000 Mass Spec Mass of Molecular lon= 86 m/z 550 50 60 70 80 - 90 100 110 120 m/z IR 3000 2000 AVENUMBER 1500 1000 500 1H NMR with D₂O 5.32 ppm 5.25 ppm 6.07 ppm Chemical Formula: Proposed Structure: 12 15 13C NMR 6 PPM 200 180 160 140 120 100 CDS-03-015 ppm HDI Calculation: 88 80 60 60 40 40 2.90 ppm 20 20 07.) From the following sets of data, please propose a reasonable structure for the unknown organic compound. This molecule is entirely composed of C, H, and N only. Please show all of your work and feel free to write on the spectra any clues as to the structure. 4000 3000 2000 1000 S DO Infrared spectrum of unknown. KBr salt plate sample. 100 MS-NU-6396 80 60 40 20 - 10 20 30 40 50 60 70 80 90 100 110 m/z Mass spectrum of unknown. Molecular ion = 83.1 Relative IntensityRelative Intensity 60 20 Unknown #4 Elemental Analysis: 68.90% Carbon, 15.03% Hydrogen, 16.07% Nitrogen Mass Spec 0 10 20 30 13C NMR 50 m/z 03 Mass of Molecular lon= 87 m/z 70 90 100 200 120 160. 140 120 100 80 60 40 20 0 ppm 'H NMR IR 1 100 2 122 doubles ill 2 7 9 ppm HSP-47-343 три 4000 Chemical Formula: Proposed Structure: 2000 1500 1000 500 3000 2000- - HDI Calculation:
- observation/inference7) 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 Me13C NMR Analysis of Aspirin Chemical Shift (Observed ppm) Assignment(s) (A'-J') Expected Chemical Shift Range (ppm) B' D' E' JOH Acetylsalicylic Acid (Aspirin) 169 & 170 152 125 135 (4 peaks) - 122 20 160 140 120 100 Figure 14.13 125.7-MHz 13C-NMR spectrum of aspirin in CDCl3. solvent 80 60 40 20 ppm
- Resolves into 13C NMR Spectrum (50.0 MHz, CDCI, solution) two signals at higher field DEPT CgH11Br Resolves into two signals at higher field expansions proton decoupled solvent 35.0 34.0 ppm 200 160 120 80 40 O 8 (ppm) 1H NMR Spectrum (200 MHz, CDCI, solution) expansion 3.0 2.5 ppm TMS 10 9 8 7 6 5 4 3 2 1 8 (ppm) Determine the structure of the compound based on the above informationUnrounded Rounded ε∗,L/μmol 0.0259825 0.0260 Heres the data if needed: TZ # Concentration Absorbance at 430 nmnm 1 33.6480 0.931 2 25.2360 0.757 3 16.8420 0.210 4 8.41200 0.137 5 4.20600 0.1223296 IR Spectrum (quid film) ....... wwwddd 4000 100 80 60 40F 8 -28 20 40 proton decoupled 10 13C NMR Spectrum (100 MHz, CDC, solution) 2H - 3000 ¹H NMR Spectrum (400 MHz, CDC, solution) 55 200 2.5 9 80 82 2114 8 2000 M = 83 120 V (cm-¹) 2H L 160 expansion 1600 1200 C₂H₂N 160 200 240 280 m/e DEPT CH, I CH₂ 1 CH 1 2.0 I 7 1H 6 L 120 Mass Spectrum 2H 1.5 800 5 solvent I 80 exchanges with DO 4 2H L 3 No significant UV absorption above 220 nm ||| L 40 2 113 08 (ppm) 1 1 TMS 0 8 (ppm) IR: List bands and possible/probable structural units responsible Band (cm³) Possible stretches/functional groups MS: Molecular Formula 13C NMR: 1 2 3 4 5 6 ¹H NMR: 1 Chem. Shift (8) Type of C (sp, sp2², carbonyl, etc.) 2 Chem. Shift (8) Multiplicity (singlet, doublet, etc.) IHD(DU)= 3 4 5 6 If you need more space, add any additional signal info here: (Show calculation) of attached c # of attached H's # of identical C's in signal Probable Type of H (methyl, aromatic, etc.) # of identical H's in signal