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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
2 S 166.10 165.61
4 D 71.10 72.2
5 T 63.70 62.68
7 S 167.98 167.88
9 S 126.06 125.7
10 D 105.60 109.87
11 S 146.90 149.0
13 S 139.65 145.22
14 S 115.90 115.0
15 S 166.80 169.54
18 D 109.90 111.37
19 S 142.14 146.37
21 S 139.70 139.0
23 S 140.10 136.4
25 S 137.00 130.9
27 S 144.90 147.08
29 S 117.80 121.04
30 S 115.26 121.04
31 S 126.57 125.7
32 D 109.93 112.34
33 S 145.77 147.4
35 S 138.00 135.19
37 S 145.38 147.08
39 S 167.46 169.54
42 D 73.21 80.0
43 D 73.36 74.27
45 S 169.40 169.54
47 S 124.70 125.7
48 D 108.78 112.34
49 S 145.94 147.4
51 S 135.06 135.19
53 S 142.71 147.08
55 S 116.93 121.04
56 S 115.96 121.04
57 S 147.27 147.08
59 S 137.53 135.64
61 S 142.88 139.6
63 S 122.90 125.92
64 S 123.56 133.0
65 S 167.74 165.99
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
68 D 81.40 81.4
69 D 39.62 44.8
70 S 121.25 124.5
71 S 121.20 128.01
72 S 167.81 167.6
75 D 71.77 72.2
76 T 64.12 62.68
78 S 168.71 167.88
80 S 125.91 125.7
81 D 108.02 112.34
82 S 145.92 147.4
84 S 136.98 135.19
86 S 144.56 147.08
88 S 115.65 121.04
89 S 115.41 121.04
90 S 126.07 125.7
91 D 111.89 112.34
92 S 144.43 147.4
94 S 138.33 135.19
96 S 145.41 147.08
98 S 168.10 169.54
101 D 74.53 75.55
102 D 69.54 72.77
104 D 77.14 76.76
106 S 165.77 165.61
108 S 120.39 121.5
109 D 111.46 110.6
110 S 147.11 146.6
112 S 140.16 139.9
114 S 147.11 146.6
116 D 111.46 110.6
117 S 169.36 172.41
120 D 111.26 112.34
121 S 145.23 147.4
123 S 137.39 145.5
125 S 147.54 139.6
127 S 118.73 121.5
128 D 108.89 110.6
129 S 145.29 146.6
131 S 138.83 139.9
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
133 S 145.29 146.6
135 D 108.89 110.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2 S 165.61 166.1
4 D 72.20 71.1
5 T 62.68 63.7
7 S 167.88 167.98
9 S 125.70 126.06
10 D 109.87 105.6
11 S 149.00 146.9
13 S 145.22 139.65
14 S 115.00 115.9
15 S 169.54 166.8
18 D 111.37 109.9
19 S 146.37 142.14
21 S 139.00 139.7
23 S 136.40 140.1
25 S 130.90 137.0
27 S 147.08 144.9
29 S 121.04 117.8
30 S 121.04 115.26
31 S 125.70 126.57
32 D 112.34 109.93
33 S 147.40 145.77
35 S 135.19 138.0
37 S 147.08 145.38
39 S 169.54 167.46
42 D 80.00 73.21
43 D 74.27 73.36
45 S 169.54 169.4
47 S 125.70 124.7
48 D 112.34 108.78
49 S 147.40 145.94
51 S 135.19 135.06
53 S 147.08 142.71
55 S 121.04 116.93
56 S 121.04 115.96
57 S 147.08 147.27
59 S 135.64 137.53
61 S 139.60 142.88
63 S 125.92 122.9
64 S 133.00 123.56
65 S 165.99 167.74
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
68 D 81.40 81.4
69 D 44.80 39.62
70 S 124.50 121.25
71 S 128.01 121.2
72 S 167.60 167.81
75 D 72.20 71.77
76 T 62.68 64.12
78 S 167.88 168.71
80 S 125.70 125.91
81 D 112.34 108.02
82 S 147.40 145.92
84 S 135.19 136.98
86 S 147.08 144.56
88 S 121.04 115.65
89 S 121.04 115.41
90 S 125.70 126.07
91 D 112.34 111.89
92 S 147.40 144.43
94 S 135.19 138.33
96 S 147.08 145.41
98 S 169.54 168.1
101 D 75.55 74.53
102 D 72.77 69.54
104 D 76.76 77.14
106 S 165.61 165.77
108 S 121.50 120.39
109 D 110.60 111.46
110 S 146.60 147.11
112 S 139.90 140.16
114 S 146.60 147.11
116 D 110.60 111.46
117 S 172.41 169.36
120 D 112.34 111.26
121 S 147.40 145.23
123 S 145.50 137.39
125 S 139.60 147.54
127 S 121.50 118.73
128 D 110.60 108.89
129 S 146.60 145.29
131 S 139.90 138.83
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
133 S 146.60 145.29
135 D 110.60 108.89






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