Bai Tap NMR

1.
21
Formula C4H10O
Opgave 1
CDCl3
3.47
1.18
1.23
3.49
3.44
3.51
2.00 3.23
4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0 -0.5
ppm
No. (ppm) (Hz) Height No. (ppm) Value Absolute Value
1 1.18 355.6 0.5584 1 [1.09 .. 1.30] 3.233 1.08023e+2
2 1.21 362.6 1.0000 2 [3.40 .. 3.54] 2.000 6.68266e+1
3 1.23 369.5 0.5579
4 3.44 1033.6 0.2168
5 3.47 1040.6 0.5603
6 3.49 1047.6 0.5393
7 3.51 1054.6 0.1861
15.29
CDCl3
Opgave 1
65.88
76.70
77.12
77.56
200 150 100 50 0
ppm
No. (ppm) (Hz) Height
1 15.29 1153.8 1.0000
2 65.88 4972.7 0.7477
3 76.70 5789.5 0.2286
4 77.12 5821.3 0.2235
5 77.56 5854.2 0.2007
Formula C4 H8 O
Opgave 2
1.28
1.26
1.31
0.00
3.73
3.75
3.96
3.99
4.20
3.98
3.96
3.71
6.41
6.44
6.46
6.48
1.04 1.09 1.11 2.26 3.11
7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
ppm
No. (ppm) (Hz) Height No. (ppm) (Hz) Height No. (ppm) Value Absolute Value
1 0.00 0.0 0.5006 11 3.98 1194.3 0.1754 1 [1.20 .. 1.40] 3.111 6.68231e+1
2 1.26 378.4 0.5344 12 3.99 1196.1 0.1845 2 [3.62 .. 3.85] 2.260 4.85428e+1
3 1.28 385.4 1.0000 13 4.14 1243.2 0.1599 3 [3.90 .. 4.03] 1.113 2.38981e+1
4 1.31 392.3 0.5294 14 4.15 1245.1 0.1689 4 [4.11 .. 4.26] 1.091 2.34328e+1
5 3.71 1113.0 0.1440 15 4.19 1257.6 0.1637 5 [6.35 .. 6.54] 1.036 2.22566e+1
6 3.73 1120.0 0.3963 16 4.20 1259.4 0.1763
7 3.75 1127.0 0.3933 17 6.41 1924.9 0.1261
8 3.78 1134.0 0.1395 18 6.44 1931.6 0.1241
9 3.96 1187.7 0.1706 19 6.46 1939.3 0.1232
10 3.96 1189.5 0.2018 20 6.48 1945.9 0.1175
Opgave 2
3.96
3.99
4.20
3.98
3.96
4.15
4.19
4.14
1.09 1.11
4.20 4.15 4.10 4.05 4.00 3.95

ppm
86.34
Opgave 2
14.56
63.58
151.79
77.07
77.49
76.65
0.00
200 150 100 50 0
ppm
1 0.00 0.0 0.1721
2 14.56 1098.8 0.5892
3 63.58 4799.4 0.5678
4 76.65 5785.9 0.1957
5 77.07 5817.6 0.2146
6 77.49 5849.4 0.2104
7 86.34 6517.2 1.0000
8 151.79 11457.0 0.4288
1.26
Formula C9H12
Opgave 3
1.23
7.22
7.25
0.00
7.27
7.20
7.13 7.15
2.89
2.87
2.91
7.30
1.22
2.84
2.94
4.91 1.00 5.94
7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
ppm
1 -0.00 -0.0 0.1525 11 7.14 2141.9 0.0272 1 [1.14 .. 1.34] 5.941 8.86121e+1
2 1.22 365.5 0.0450 12 7.15 2147.4 0.0934 2 [2.78 .. 3.00] 1.000 1.49155e+1
3 1.23 370.3 0.9213 13 7.18 2154.4 0.0602 3 [7.09 .. 7.36] 4.908 7.31982e+1
4 1.26 377.3 1.0000 14 7.18 2155.9 0.0598
5 2.84 853.1 0.0236 15 7.20 2160.6 0.0935
6 2.87 860.1 0.0532 16 7.22 2167.6 0.2085
7 2.89 867.0 0.0674 17 7.25 2176.5 0.1578
8 2.91 874.0 0.0491 18 7.26 2178.7 0.0551
9 2.94 881.0 0.0194 19 7.27 2183.4 0.1288
10 7.13 2140.4 0.0386 20 7.30 2191.2 0.0473
Opgave 3
1.26
1.23
2.89
2.87
2.91
1.22
2.84
2.94
1.00 5.94
3.1 3.0 2.9 2.8 2.7 2.6 2.5 2.4 2.3 2.2 2.1 2.0 1.9 1.8 1.7 1.6 1.5 1.4 1.3 1.2 1.1 1.0
ppm
Opgave 3
24.00
126.38
128.27
125.73
34.15
148.81
76.99
76.57
77.41
200 150 100 50 0
ppm
1 24.00 1811.8 1.0000
2 34.15 2577.3 0.3217
3 76.57 5779.8 0.1434
4 76.99 5811.5 0.1503
5 77.41 5843.3 0.1423
6 125.73 9490.1 0.4485
7 126.38 9538.9 0.8847
8 128.27 9681.8 0.7221
9 148.81 11232.3 0.1307
Formula C 4H 8 O 2
Opgave 4
2.04
1.26
1.28
1.23
4.13
4.11 4.08
4.15
2.00 2.96 2.90
4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0 -0.5
ppm

1 1.23 370.3 0.3039 1 [1.20 .. 1.31] 2.904 4.13692e+1
2 1.26 377.6 0.6089 2 [1.99 .. 2.10] 2.958 4.21385e+1
3 1.28 384.6 0.3359 3 [4.05 .. 4.18] 2.000 2.84882e+1
4 2.04 612.2 1.0000
5 4.08 1225.6 0.1036
6 4.11 1232.5 0.2462
7 4.13 1239.9 0.2753
8 4.15 1246.9 0.0882
Opgave 4
14.23
60.35
20.98
77.59
77.17
76.75
170.99
200 150 100 50 0

ppm
1 14.23 1074.4 1.0000
2 20.98 1583.5 0.4277
3 60.35 4555.2 0.7873
4 76.75 5793.2 0.2733
5 77.17 5824.9 0.2841
6 77.59 5856.7 0.2846
7 170.99 12906.2 0.1336
Opgave 5 Formula C3 H6 O
1.33
1.31
0.00
2.75
2.43
2.44
2.42
2.42
2.73
2.76
2.98
2.97
3.00
2.99
3.01
2.98
1.13 1.10 1.06 3.15
3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0 -0.5

ppm
1 -0.00 -0.0 0.3437 9 2.75 825.1 0.2182 1 [1.26 .. 1.36] 3.154 7.80736e+1
2 1.31 393.1 0.9207 10 2.76 829.2 0.1718 2 [2.39 .. 2.48] 1.061 2.62660e+1
3 1.33 398.2 1.0000 11 2.97 890.6 0.1408 3 [2.70 .. 2.79] 1.101 2.72607e+1
4 2.42 725.1 0.1837 12 2.98 893.2 0.1090 4 [2.93 .. 3.06] 1.126 2.78638e+1
5 2.42 727.7 0.1926 13 2.98 895.7 0.1454
6 2.43 730.3 0.2135 14 2.99 897.2 0.1353
7 2.44 732.8 0.2054 15 3.00 899.8 0.1358
8 2.73 820.7 0.1775 16 3.01 902.3 0.1142
Opgave 5
2.75
2.43
2.44
2.42
2.42
2.73
2.76
2.98 2.98
2.97
3.00
2.99
3.01
1.13 1.10 1.06
3.10 3.05 3.00 2.95 2.90 2.85 2.80 2.75 2.70 2.65 2.60 2.55 2.50 2.45 2.40 2.35 2.30
ppm
Opgave 5
18.04
48.01
48.22
77.19
76.77
0.00
77.61
200 150 100 50 0
ppm
1 -0.00 -0.0 0.2915
2 18.04 1361.3 1.0000
3 48.01 3623.6 0.8207
4 48.22 3639.5 0.3724
5 76.77 5794.4 0.2722
6 77.19 5826.2 0.2891
7 77.61 5857.9 0.2529
Opgave 6 Formula C3 H6 O
2.16
6.00
15 14 13 12 11 10 9 8 7 6 5 4 3 2 1 0 -1 -2 -3 -4 -5
ppm
1 2.16 649.7 1.0000 1 [2.05 .. 2.23] 6.000 1.26242e+2
Opgave 6
30.85
77.25
77.67
76.83
206.64
0.00
200 150 100 50 0
ppm
1 -0.00 -0.0 0.0773
2 30.85 2328.3 1.0000
3 76.83 5799.3 0.2681
4 77.25 5831.0 0.3016
5 77.67 5862.8 0.2892
6 206.64 15597.1 0.1036
Formula C4 H8 O
Opgave 7
0.97
0.00
0.99
0.94
2.41
1.68
1.66
2.39
1.64
9.76
2.39
1.71
2.44
0.61 2.00 2.00 3.08
10.0 9.5 9.0 8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
ppm
1 -0.00 -0.0 0.6082 9 2.39 716.7 0.2166 1 [0.88 .. 1.08] 3.084 6.27702e+1
2 0.94 283.1 0.4599 10 2.39 718.5 0.2117 2 [1.56 .. 1.81] 2.000 4.07042e+1
3 0.97 290.5 1.0000 11 2.41 724.0 0.3841 3 [2.27 .. 2.53] 1.995 4.06111e+1
4 0.99 297.8 0.5552 12 2.42 725.9 0.3678 4 [9.40 .. 10.09] 0.612 1.24455e+1
5 1.64 490.9 0.2132 13 2.44 731.4 0.1887
6 1.66 498.2 0.3707 14 2.44 733.2 0.1791
7 1.68 505.6 0.3816 15 9.76 2930.6 0.2117
8 1.71 512.9 0.2052
Opgave 7
0.97
0.99
0.94
2.41
1.68
1.66
2.42
2.39
1.64
2.39
1.71
2.44
2.44
2.00 2.00 3.08
2.5 2.4 2.3 2.2 2.1 2.0 1.9 1.8 1.7 1.6 1.5 1.4 1.3 1.2 1.1 1.0 0.9 0.8
ppm
Opgave 7
15.67
45.79
13.68
202.59
0.00
77.15
76.73
77.58
200 150 100 50 0
ppm
1 -0.00 -0.0 0.2630
2 13.68 1032.9 0.6495
3 15.67 1183.1 1.0000
4 45.79 3456.4 0.6753
5 76.73 5792.0 0.1915
6 77.15 5823.7 0.1965
7 77.58 5855.5 0.1861
8 202.59 15291.8 0.2647
Opgave 8
20.87
178.15
77.56
76.70
77.14
200 150 100 50 0
ppm
1 20.87 1575.0 1.0000
2 76.70 5789.5 0.1867
3 77.14 5822.5 0.1772
4 77.56 5854.2 0.1959
5 178.15 13447.1 0.3059
Opgave 8 Formula C2H4O2
2.10
0.00
11.83
0.79 3.03
15 14 13 12 11 10 9 8 7 6 5 4 3 2 1 0 -1 -2 -3 -4 -5 -6
ppm
1 0.00 0.0 0.1444 1 [1.87 .. 2.35] 3.032 4.83307e+2
2 2.10 631.4 1.0000 2 [11.65 .. 11.99] 0.789 1.25766e+2
3 11.83 3552.0 0.0392
Formula C3 H6 O 2
Opgave 9
3.66
2.05
0.00
2.99 3.00
15 14 13 12 11 10 9 8 7 6 5 4 3 2 1 0 -1 -2 -3 -4 -5
ppm
1 -0.00 -0.0 0.0609 1 [1.78 .. 2.26] 3.000 9.34184e+1
2 2.05 616.3 0.9586 2 [3.48 .. 3.80] 2.993 9.31995e+1
3 3.66 1099.8 1.0000
Opgave 9
51.53
20.64
77.20
76.78
77.62
171.41
200 150 100 50 0

ppm
1 20.64 1557.9 0.7725
2 51.53 3889.8 1.0000
3 76.78 5795.6 0.4509
4 77.20 5827.4 0.4605
5 77.62 5859.1 0.4258
6 171.41 12937.9 0.2249
Opgave 10 Formula C7H7NO2
2.58
7.33
7.34
7.49
7.93
0.00
7.95
7.35
7.96
7.32
7.47
7.30
7.52
0.87 0.921.80 3.00
8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
ppm
1 0.00 0.0 0.1139 8 7.47 2241.5 0.0977 1 [2.48 .. 2.70] 3.000 3.07466e+2
2 2.58 775.5 1.0000 9 7.49 2249.3 0.1307 2 [7.27 .. 7.39] 1.798 1.84257e+2
3 7.30 2191.9 0.0746 10 7.52 2256.6 0.0533 3 [7.43 .. 7.59] 0.916 9.38717e+1
4 7.32 2196.3 0.1067 11 7.93 2379.8 0.1269 4 [7.87 .. 8.00] 0.874 8.96256e+1
5 7.33 2199.2 0.1530 12 7.95 2387.1 0.1121
6 7.34 2204.0 0.1422 13 7.96 2388.6 0.1062
7 7.35 2206.2 0.1088
Opgave 10
7.33
7.34
7.49
7.93
7.95
7.35
7.32
7.96
7.47
7.30
7.52
0.87 0.92 1.80
8.15 8.10 8.05 8.00 7.95 7.90 7.85 7.80 7.75 7.70 7.65 7.60 7.55 7.50 7.45 7.40 7.35 7.30 7.25 7.20 7.15 7.10 7.05 7.00
ppm
Opgave 10
126.86
132.73
124.56
132.99
20.38
77.12
77.54
76.70
133.49
0.00
149.20
24.89
200 150 100 50 0
ppm
No. (ppm) (Hz) Height No. (ppm) (Hz) Height
1 -0.00 -0.0 0.0940 7 124.56 9402.2 0.9614
2 20.38 1538.3 0.8116 8 126.86 9575.6 1.0000
3 24.89 1879.0 0.0435 9 132.73 10018.8 0.9737
4 76.70 5789.5 0.2328 10 132.99 10038.3 0.8469
5 77.12 5821.3 0.2464 11 133.49 10076.1 0.1821
6 77.54 5853.0 0.2323 12 149.20 11261.6 0.0492
Opgave 11 Formula C7H7NO2
2.46
0.00
8.08
8.11
7.32
7.30
1.83 1.90 3.00
8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0 -0.5
ppm
1 0.00 0.0 0.4231 1 [2.39 .. 2.52] 3.000 2.06782e+2
2 2.46 738.7 1.0000 2 [7.25 .. 7.37] 1.895 1.30639e+2
3 7.30 2189.7 0.2293 3 [8.03 .. 8.17] 1.826 1.25873e+2
4 7.32 2198.5 0.2640
5 8.08 2425.8 0.2911
6 8.11 2434.2 0.2652
Opgave 11
129.79
123.46
21.58
0.00
76.67
77.53
145.96
77.09
200 150 100 50 0
ppm
1 0.00 0.0 0.2400
2 21.58 1628.7 0.2400
3 76.67 5787.1 0.1969
4 77.09 5818.8 0.1796
5 77.53 5851.8 0.1839
6 123.46 9319.2 0.9200
7 129.79 9796.5 1.0000
8 145.96 11017.5 0.1609
Opgave 12
Formula C9H12
1.22
2.32
1.24
1.19
7.00
2.59
0.00
2.61
7.16
6.97
2.56
7.13
2.64
7.18
1.15 3.28 2.28 3.37 3.28
7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
ppm
1 0.00 0.0 0.2862 8 2.61 784.3 0.2823 1 [1.12 .. 1.32] 3.283 4.58013e+1
2 1.19 358.1 0.4496 9 2.64 792.0 0.0941 2 [2.21 .. 2.37] 3.365 4.69528e+1
3 1.22 365.9 1.0000 10 6.97 2091.5 0.1602 3 [2.50 .. 2.68] 2.277 3.17630e+1
4 1.24 373.6 0.5559 11 7.00 2101.1 0.3206 4 [6.86 .. 7.04] 3.277 4.57184e+1
5 2.32 695.7 0.9985 12 7.13 2141.5 0.1103 5 [7.09 .. 7.24] 1.150 1.60495e+1
6 2.56 769.2 0.1121 13 7.16 2148.9 0.1648
7 2.59 776.6 0.2922 14 7.18 2156.2 0.0733
Opgave 12
Formula C9H12
124.84
126.33
128.67
28.82
15.64
21.40
77.01
77.45
76.59
144.18
137.78
0.00
200 150 100 50 0
ppm
No. (ppm) (Hz) Height No. (ppm) (Hz) Height
1 0.00 0.0 0.1397 8 124.84 9423.0 1.0000
2 15.64 1180.6 0.5589 9 126.33 9535.3 0.9012
3 21.40 1615.3 0.3597 10 128.20 9676.9 0.7902
4 28.82 2175.7 0.6104 11 128.67 9712.3 0.8491
5 76.59 5781.0 0.2284 12 137.78 10399.7 0.1410
6 77.01 5812.7 0.2386 13 144.18 10883.2 0.1610
7 77.45 5845.7 0.2365
Opgave 13
Formula C9 H8
2.02
7.24
0.00
7.24
7.26
7.37
7.37
7.38
1.792.89 3.00
7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0
ppm
1 0.00 0.0 0.2605 1 [1.90 .. 2.10] 3.000 2.16260e+2
2 2.02 607.1 1.0000 2 [7.14 .. 7.30] 2.888 2.08174e+2
3 7.24 2171.7 0.2467 3 [7.33 .. 7.44] 1.785 1.28707e+2
4 7.24 2173.9 0.2877
5 7.25 2176.8 0.1563
6 7.26 2178.7 0.1819
7 7.27 2182.7 0.0668
8 7.37 2210.6 0.1388
9 7.37 2212.9 0.1372
10 7.38 2216.2 0.1077
11 7.40 2220.6 0.0841
Opgave 13
Formula C9 H8
128.17
131.47
127.48
4.29
77.04
76.62
77.46
79.76
85.78
124.05
200 150 100 50 0

ppm
1 4.29 323.5 0.2758
2 76.62 5783.4 0.1450
3 77.04 5815.2 0.1452
4 77.46 5846.9 0.1303
5 79.76 6020.3 0.1287
6 85.78 6474.5 0.1186
7 124.05 9363.1 0.0990
8 127.48 9622.0 0.6090
9 128.17 9674.5 1.0000
10 131.47 9923.5 0.9618

Bai Tap NMR

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Bai Tap NMR

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1.

1.04 1.09 1.11 2.26 3.11

4.20 4.15 4.10 4.05 4.00 3.95

2.00 2.96 2.90

No. (ppm) (Hz) Height No. (ppm) Value Absolute Value

200 150 100 50 0

1.13 1.10 1.06 3.15

3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0 -0.5

1.13 1.10 1.06

2.00 2.00 3.08

200 150 100 50 0

0.87 0.921.80 3.00

0.87 0.92 1.80

1.83 1.90 3.00

1.15 3.28 2.28 3.37 3.28

200 150 100 50 0

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