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-show each calculation and work for solving for the ppm and use the two charts posted. -show the work and calculation for getting the jvalue/values
-show each calculation and work for solving for the ppm and use the two charts posted.
0 Hd Hf . Hg 85 Br Hb He NH (1) Ha NO; (a) Calculate the predicted chemical shifts for the aromatic hydrogens A, B, E, F and G and alkene hydrogens C and D. Also provide the multiplicity and coupling constants for hydrogens A through G. Make a table to list all your data. You must show your work below or on a separate paper. *Tables to calculate chemical shifts provided at end of HW set (reproduced from Mohrig text). Exact subs not available in all cases, so closest options indicated with **). Cale ppm Multiplicity J value/values Hydrogen A B D E F G H don't need to calc Additive parameters for predicting NMR chemical shifts of aromatic protons in cod, Base value 7.36 per -0.21 -0.20 -004 -0.12 -0.11 0.05 0.05 -0.02 018 0.28 -CH -0.18 -0.11 CHCH, -0.14 -0.00 - 0.00 -0.01 -CH-CH 0.04 -0.04 -CH=CH 0.14 -0.02 -CH-CHCO, 0.19 0.04 -CH-CHICHO 0.26 0.08 -AL 0.23 0.00 -0-IH 053 -C-OR 0.60 0.10 COM 0.45 012 -O-OICH OHN 0,67 0.14 OOOOH 0.66 DO -COJOCH.CH 0.69 GO - IOH 0.77 011 -0-01 0.16 016 CON, 0.46 0.00 ON 0.29 012 - -0.32 - 0.00 -0.0 013 013 -OH 050 -0.14 -OR 0:45 00 ON 016 -0.04 -01OOR -0.22 000 -OCOLAT -0.14 0.00 -NH -0.71 -NICH -06 -0.15 -NH-OR 007 NO 0.30 value is the mechCDC, 0.20 02 0.21 0.19 0.17 0.25 0.33 0.17 0.25 -025 -0.13 -0.00 -0.4 10:41 -028 -0.13 -0.09 -0,62 -0.33 -027 015 0.14 TABLE 31.5 Additive Parameters for Predicting NMR Chemical Shife of Vinyl Protond in cod, Basel 5.25 0.45 126 -0.32 0.05 -0.00 -0.11 1.41 -R -CHECH CH, OH -CH,XXL 10-OJOH -O-OOR -O-OH -COR -- -Ai - 0.95 1.12 0.70 0.97 0.80 1.00 1.10 13 1.15 109 108 1.22 1221 2.11 OS -0.28 -0.01 -0.02 -0.04 0.71 0:55 1.17 . 0,63 -0.00 0.55 013 -1.21 -100 a -OR 036 0.45 0.18 -1.07 - OM OIC OR MINH i M. -NHCHOR 1.21 TABLE 23.5 Additive parameters for predicting NMR chemical shifts of aromatic carbon atoms in CDC Hase values benzene 128.5 ppm Grup 1.6 1.6 1.4 -1.6 -19 -1.1 OD 8.9 3.2 04 -13.0 00 12 1.6 1.2 0.1 -23 0.7 52 -34.1 -5.8 6.3 34.8 0.0 2.0 2.1 82 8.9 8.9 9.2 9.3 13.1 15.7 20.2 22.4 9.7 182 19.9 22.4 26.9 276 31.4 - -30 0.0 - -H -O-OOCH -O-OOH -O-OH -OOCH -CH.CH -CH -cha -CM --CH.CH CHCH -CICH) NHIC OICH NH -NO -OC-OICH -OCH -OCH 03 -1. -0.6 -22 -33 1.6 0.0 -0.1 -0.1 015 -01 -0.1 -0,1 02 03 -0.1 -03 -0.4 02 0.3 0.9 044 1:4 -01 1.0 -23 -- 100 -32 -4.9 -7. - 128 -112 - 14.4 TABLE 23.6 Additive parameters for predicting NMR chemical shifts of allee carbon atoms in CDCI, Base value: CH-CH - 123.3 pm Y--- Y-C-0--- Y-C-C-OC-C-- B 7 -15 10.1 145 13.6 7.1 2.9 4.9 -58 -96 - 25 -05 02 10 1.2 1.1 3.8 -25 -6.1 Grown -C-sp -CH-CH -CH -OH -OO-OICH -OR -Br - -C-OOR --COOH --C-OIH 0-OR 175 28.5 -25.8 -370 0. 24 229 42 -1.1 1.7 1.0 035 -2.7 -2.9 203 3.0 4.7 -61 32 9.9 162 55 1.9 3.2 20 1. 141 -29 -35 30 -show the work and calculation for getting the jvalue/values
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