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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 22.30 22.4
2 D 25.40 24.05
3 Q 22.30 22.4
4 T 40.50 40.24
5 D 55.17 51.75
7 S 171.77 171.0
9 D 58.95 58.44
10 D 29.98 30.36
11 Q 19.51 18.3
12 Q 18.73 18.3
14 S 168.70 169.03
16 T 42.70 42.77
18 S 170.07 172.74
20 T 43.36 42.77
22 S 172.03 171.9
24 D 61.48 59.9
25 T 29.50 28.9
26 T 24.21 24.51
27 T 47.20 47.15
29 S 171.90 171.23
31 D 54.40 51.94
32 T 36.61 39.26
33 S 127.29 128.95
34 D 130.98 130.49
35 D 116.38 115.0
36 S 157.98 155.8
38 D 116.38 115.0
39 D 130.98 130.49
41 S 172.55 169.6
43 D 56.83 54.38
44 T 38.24 34.9
45 S 127.78 127.9
46 D 131.65 129.7
47 D 116.10 115.0
48 S 157.68 155.8
50 D 116.10 115.0
51 D 131.65 129.7
53 S 171.70 172.0
55 D 54.99 54.15
56 T 36.51 36.61
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
57 S 128.59 127.9
58 D 130.47 129.7
59 D 115.59 115.0
60 S 156.53 155.8
62 D 115.59 115.0
63 D 130.47 129.7
65 S 170.97 170.26
67 D 57.89 55.09
68 T 63.40 61.54
71 S 172.49 172.18





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 22.40 22.3
2 D 24.05 25.4
3 Q 22.40 22.3
4 T 40.24 40.5
5 D 51.75 55.17
7 S 171.00 171.77
9 D 58.44 58.95
10 D 30.36 29.98
11 Q 18.30 19.51
12 Q 18.30 18.73
14 S 169.03 168.7
16 T 42.77 42.7
18 S 172.74 170.07
20 T 42.77 43.36
22 S 171.90 172.03
24 D 59.90 61.48
25 T 28.90 29.5
26 T 24.51 24.21
27 T 47.15 47.2
29 S 171.23 171.9
31 D 51.94 54.4
32 T 39.26 36.61
33 S 128.95 127.29
34 D 130.49 130.98
35 D 115.00 116.38
36 S 155.80 157.98
38 D 115.00 116.38
39 D 130.49 130.98
41 S 169.60 172.55
43 D 54.38 56.83
44 T 34.90 38.24
45 S 127.90 127.78
46 D 129.70 131.65
47 D 115.00 116.1
48 S 155.80 157.68
50 D 115.00 116.1
51 D 129.70 131.65
53 S 172.00 171.7
55 D 54.15 54.99
56 T 36.61 36.51
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
57 S 127.90 128.59
58 D 129.70 130.47
59 D 115.00 115.59
60 S 155.80 156.53
62 D 115.00 115.59
63 D 129.70 130.47
65 S 170.26 170.97
67 D 55.09 57.89
68 T 61.54 63.4
71 S 172.18 172.49






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