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This molecule with other stereoconfigurations:


acd_lotusv7/  
Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 56.27 56.32
3 D 78.07 78.07
4 D 120.93 120.93
5 S 146.25 146.25
6 D 39.58 39.58
7 T 21.11 21.11
8 T 28.52 28.52
9 D 74.78 74.78
11 S 42.34 42.34
12 Q 27.38 27.38
13 Q 26.25 26.25
14 S 34.83 34.83
15 Q 27.50 27.5
16 T 33.80 33.8
17 T 31.22 31.22
18 S 45.93 45.93
19 Q 15.40 15.4
20 D 50.04 50.04
21 D 36.11 36.81
22 Q 18.74 18.74
23 T 39.60 39.6
24 D 125.60 125.6
25 D 140.15 140.15
26 S 70.95 70.95
27 Q 30.00 30.0
28 Q 30.00 30.0
30 T 27.44 27.44
31 T 35.09 35.09
32 S 48.49 48.49
33 Q 19.36 19.36
34 D 49.20 49.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 56.32 56.27
3 D 78.07 78.07
4 D 120.93 120.93
5 S 146.25 146.25
6 D 39.58 39.58
7 T 21.11 21.11
8 T 28.52 28.52
9 D 74.78 74.78
11 S 42.34 42.34
12 Q 27.38 27.38
13 Q 26.25 26.25
14 S 34.83 34.83
15 Q 27.50 27.5
16 T 33.80 33.8
17 T 31.22 31.22
18 S 45.93 45.93
19 Q 15.40 15.4
20 D 50.04 50.04
21 D 36.81 36.11
22 Q 18.74 18.74
23 T 39.60 39.6
24 D 125.60 125.6
25 D 140.15 140.15
26 S 70.95 70.95
27 Q 30.00 30.0
28 Q 30.00 30.0
30 T 27.44 27.44
31 T 35.09 35.09
32 S 48.49 48.49
33 Q 19.36 19.36
34 D 49.20 49.2






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