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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 111.60 114.4
2 D 140.90 133.3
3 S 136.70 133.7
4 Q 12.10 20.3
5 D 128.95 126.3
6 T 30.89 28.7
7 S 38.32 38.5
8 Q 24.71 25.0
9 D 39.20 41.3
10 T 28.07 26.1
11 D 69.03 66.0
13 S 176.33 175.8
15 D 41.30 41.1
16 Q 16.70 16.6
17 T 27.20 27.0
18 Q 11.70 12.25
19 D 123.05 124.1
20 S 145.18 144.3
21 D 95.50 96.0
23 S 170.00 170.63
24 Q 20.64 21.19
27 D 98.45 96.9
29 S 169.20 170.51
30 Q 21.90 21.41
32 S 53.55 53.5
33 D 73.70 74.0
35 T 37.25 37.6
36 T 37.25 36.8
37 Q 16.13 15.6





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 T 114.40 111.6
2 D 133.30 140.9
3 S 133.70 136.7
4 Q 20.30 12.1
5 D 126.30 128.95
6 T 28.70 30.89
7 S 38.50 38.32
8 Q 25.00 24.71
9 D 41.30 39.2
10 T 26.10 28.07
11 D 66.00 69.03
13 S 175.80 176.33
15 D 41.10 41.3
16 Q 16.60 16.7
17 T 27.00 27.2
18 Q 12.25 11.7
19 D 124.10 123.05
20 S 144.30 145.18
21 D 96.00 95.5
23 S 170.63 170.0
24 Q 21.19 20.64
27 D 96.90 98.45
29 S 170.51 169.2
30 Q 21.41 21.9
32 S 53.50 53.55
33 D 74.00 73.7
35 T 37.60 37.25
36 D 36.80 37.25
37 Q 15.60 16.13






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