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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
1 T 112.10 113.7
2 S 142.50 145.6
3 Q 21.80 19.6
4 D 36.80 37.2
5 T 31.90 29.38
6 S 129.60 135.43
7 D 112.00 110.48
8 S 149.33 145.55
10 T 65.20 66.42
11 D 118.80 123.66
12 S 141.00 135.13
13 Q 14.10 15.17
14 T 67.50 67.16
16 S 147.40 145.9
18 D 115.70 110.4
19 S 121.70 133.75
20 S 135.70 139.53
21 S 139.90 140.4
22 S 186.10 183.73
24 S 127.90 119.56
25 S 122.70 131.23
26 D 132.30 131.6
27 D 114.80 114.8
28 S 155.80 156.9
30 D 114.80 114.8
31 D 132.30 131.6
32 S 154.80 154.58
34 Q 61.20 60.56
35 S 183.50 180.12





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 T 113.70 112.1
2 S 145.60 142.5
3 Q 19.60 21.8
4 D 37.20 36.8
5 T 29.38 31.9
6 S 135.43 129.6
7 D 110.48 112.0
8 S 145.55 149.33
10 T 66.42 65.2
11 D 123.66 118.8
12 S 135.13 141.0
13 Q 15.17 14.1
14 T 67.16 67.5
16 S 145.90 147.4
18 D 110.40 115.7
19 S 133.75 121.7
20 S 139.53 135.7
21 S 140.40 139.9
22 S 183.73 186.1
24 S 119.56 127.9
25 S 131.23 122.7
26 D 131.60 132.3
27 D 114.80 114.8
28 S 156.90 155.8
30 D 114.80 114.8
31 D 131.60 132.3
32 S 154.58 154.8
34 Q 60.56 61.2
35 S 180.12 183.5






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