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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 178.30 175.5
4 T 72.80 71.46
5 D 32.90 41.13
6 T 32.10 33.62
7 S 128.20 130.05
8 D 108.90 108.0
9 S 146.68 145.8
10 S 146.65 145.8
11 D 109.90 109.5
12 S 130.10 132.2
13 D 44.80 43.66
14 S 136.30 137.62
15 D 120.70 121.45
16 D 108.25 107.6
17 S 146.30 147.9
18 S 148.10 146.4
19 D 108.30 108.6
21 T 101.10 101.2
23 D 46.20 40.9
25 T 101.10 100.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2 S 175.50 178.3
4 T 71.46 72.8
5 D 41.13 32.9
6 T 33.62 32.1
7 S 130.05 128.2
8 D 108.00 108.9
9 S 145.80 146.68
10 S 145.80 146.65
11 D 109.50 109.9
12 S 132.20 130.1
13 D 43.66 44.8
14 S 137.62 136.3
15 D 121.45 120.7
16 D 107.60 108.25
17 S 147.90 146.3
18 S 146.40 148.1
19 D 108.60 108.3
21 T 101.20 101.1
23 D 40.90 46.2
25 T 100.20 101.1






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