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- a) Predict the proton spectrum chemical shift, coupling and integration of the following molecule? vanillin C8H8O3 b) Also predict its cross-peaks in COSY and 1H-13C HETCOR?Is this HNMR spectrum for 3-methoxybenzoic acid, 4 methoxybenzoic acid or 4 methylbenzoic acid? Please explain why and explain peaks, shifts, etc.SPECTROSCOPY - Attached are the IRs for Caffeine and Adenine (Molecular structures on Lab Manual p. 34). Please (a) NAME each compound at the bottom of each spectrum box. (b) Label the major peaks with the proper functional group for each spectrum. 100- Transmittance (%) Transmittance (%) 50- 4000 100 50 3303 34 1673 10 3123 20 1605 4 2982 42 1508 74 2800 43 1471 72 2710 50 1463 74 2892 49 1451 65 2601 68 1419 36 0 4000 3000 2925 4 2854 14 1699 10 1859 10 1699 49 3110 64 1649 31 2954 11 1457 21 1431 37 1404 56 1378 49 1360 49 1326 68 1368 60 1334 43 1309 27 1263 46 1156 81 1126 88 1023 72 3000 1286 63 1240 36 1213 80 1189 62 1072 77 1026 57 974 68 2000 1500 Wavenumber (cm-¹) 940 38 913 55 875 77 849 72 797 64 792 84 724 49 643 49 622 60 543 57 2000 1500 Wavenumber (cm-¹) 81 927 873 77 851 74 769 60 746 23 700 84 646 84 wwwm 638 86 610 57 482 49 1000 -END- 500 1000 500 38
- Consider isomeric alcohols A and B and mass spectra [1] and [2]. (a) Label the molecular ion and base peak in each spectrum. (b) Use thefragmentation patterns to determine which mass spectrum correspondsto isomer A and which corresponds to isomer B.The spectrum below was obtained from KBr sharing, being a compound with formula C2H6O. Determine the compound from the if FTIR spectrum. (b) Discuss how FTIR distinguishes the following compounds: (i) CH3OH and CH3CH2OCH2CH3 (c) which functional groups provide signals in the FTIR spectra: (i) 1700cm-1, (ii) 1550 cm-1 and (iii) 1700 cm-1 and 2510-3000 cm-1The simulated APT spectrum of a compound with the molecular formula C5H11 is shown. Draw a structure that is consistent with this data.
- (a) How many proton and carbon signals are expected for the 2 possible regioisomers? Clearly mark the chemically distinct/inequivalent carbons in your structures. (b) Estimate the 1H chemical shift for HB of 2-indanol and HA of 1-indanol. Is one more downfield than the other or are they expected to be similar? Explain your answer.Consider isomeric alcohols A and B and mass spectra [1] and [2].(a) Label the molecular ion and base peak in each spectrum. (b) Use the fragmentation patterns to determine which mass spectrum corresponds to isomer A and which corresponds to isomer B.06) The following spectrum refers to an ester of formula C5H8O2. The multiplicities of signs are based on proton-coupled 13C and are indicated above the peaks. give the formula structure and the assignment of each peak.
- The 1H NMR spectrum of 1,2-dimethoxyethane (CH3OCH2CH2OCH3) recorded on a 300 MHz NMR spectrometer consists of signals at 1017 Hz and 1065 Hz downeld from TMS. (a) Calculate the chemical shift of each absorption. (b) At what frequency would each absorption occur if the spectrum were recorded on a 500 MHz NMR spectrometer?Draw the structure of 2-butanol on the NMR spectrum and assign each peak to the orressponding hydrogen atoms on the molecule.give the carbon NMR interpretation of the peaks