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This molecule without stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 T 106.30 106.3
2 S 152.50 152.5
3 T 31.80 31.8
4 T 27.90 27.9
5 D 41.74 40.1
6 D 39.42 36.6
7 T 30.50 30.5
8 T 22.96 25.9
9 D 124.64 124.1
10 S 131.83 130.1
11 Q 19.97 17.73
12 Q 20.20 25.82
13 T 69.80 69.8
15 D 102.30 102.7
17 T 62.86 57.57
18 D 71.73 74.47
20 S 171.50 173.7
21 Q 20.87 20.71
23 D 73.57 76.5
25 D 73.02 73.3
27 D 36.60 36.6
28 D 123.70 123.7
29 S 133.00 133.0
30 Q 23.90 23.9
31 T 30.80 30.8
32 T 25.00 25.0
33 D 42.80 42.8





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 T 106.30 106.3
2 S 152.50 152.5
3 T 31.80 31.8
4 T 27.90 27.9
5 D 40.10 41.74
6 D 36.60 39.42
7 T 30.50 30.5
8 T 25.90 22.96
9 D 124.10 124.64
10 S 130.10 131.83
11 Q 17.73 19.97
12 Q 25.82 20.2
13 T 69.80 69.8
15 D 102.70 102.3
17 T 57.57 62.86
18 D 74.47 71.73
20 S 173.70 171.5
21 Q 20.71 20.87
23 D 76.50 73.57
25 D 73.30 73.02
27 D 36.60 36.6
28 D 123.70 123.7
29 S 133.00 133.0
30 Q 23.90 23.9
31 T 30.80 30.8
32 T 25.00 25.0
33 D 42.80 42.8






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