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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
2 S 166.80 164.58
4 S 128.18 137.23
5 S 151.56 152.36
7 D 107.25 114.75
8 S 133.80 135.94
9 D 79.62 88.1
11 S 156.80 156.3
12 D 95.60 95.6
13 S 157.40 158.1
15 D 96.20 96.1
16 S 157.40 157.2
18 S 99.60 100.6
19 T 28.80 28.5
20 D 66.81 68.8
22 D 107.25 114.75
23 S 151.56 152.36
25 S 120.70 124.0
26 D 110.90 109.48
27 S 146.70 145.34
29 S 141.30 139.9
31 S 146.70 145.34
33 D 110.90 109.48





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2 S 164.58 166.8
4 S 137.23 128.18
5 S 152.36 151.56
7 D 114.75 107.25
8 S 135.94 133.8
9 D 88.10 79.62
11 S 156.30 156.8
12 D 95.60 95.6
13 S 158.10 157.4
15 D 96.10 96.2
16 S 157.20 157.4
18 S 100.60 99.6
19 T 28.50 28.8
20 D 68.80 66.81
22 D 114.75 107.25
23 S 152.36 151.56
25 S 124.00 120.7
26 D 109.48 110.9
27 S 145.34 146.7
29 S 139.90 141.3
31 S 145.34 146.7
33 D 109.48 110.9






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