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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 Q 14.50 17.06
2 D 49.00 36.74
3 D 207.00 202.4
5 D 42.80 43.82
6 T 23.70 28.14
7 T 40.00 42.0
8 S 43.00 40.4
9 Q 24.92 22.98
10 T 35.30 30.33
11 T 29.42 27.5
12 S 40.76 42.34
13 Q 14.40 14.88
14 D 37.17 38.48
15 T 29.05 26.54
16 T 23.05 21.4
17 D 51.22 49.6
18 S 35.89 36.9
19 Q 16.06 15.85
20 T 34.33 39.64
21 T 34.51 34.14
22 S 218.20 217.79
24 S 48.23 47.4
25 Q 26.98 23.85
26 Q 24.99 23.85
27 D 55.90 55.0
28 T 19.67 19.6
29 T 33.60 33.5
30 S 40.24 41.89
31 Q 15.80 16.13
32 D 49.12 49.2





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 17.06 14.5
2 D 36.74 49.0
3 D 202.40 207.0
5 D 43.82 42.8
6 T 28.14 23.7
7 T 42.00 40.0
8 S 40.40 43.0
9 Q 22.98 24.92
10 T 30.33 35.3
11 T 27.50 29.42
12 S 42.34 40.76
13 Q 14.88 14.4
14 D 38.48 37.17
15 T 26.54 29.05
16 T 21.40 23.05
17 D 49.60 51.22
18 S 36.90 35.89
19 Q 15.85 16.06
20 T 39.64 34.33
21 T 34.14 34.51
22 S 217.79 218.2
24 S 47.40 48.23
25 Q 23.85 26.98
26 Q 23.85 24.99
27 D 55.00 55.9
28 T 19.60 19.67
29 T 33.50 33.6
30 S 41.89 40.24
31 Q 16.13 15.8
32 D 49.20 49.12






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