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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 14.23 13.97
2 T 22.80 22.15
3 T 32.00 32.04
4 T 29.50 28.72
5 T 29.75 29.58
6 T 29.43 29.66
7 T 28.82 30.18
8 T 25.20 25.57
9 T 36.95 36.72
10 D 67.45 67.6
12 T 43.44 40.9
13 S 171.40 173.4
16 D 49.90 50.8
17 T 36.90 36.3
18 S 172.00 170.6
21 S 171.40 172.18
24 D 57.00 57.01
25 S 170.40 170.55
28 D 56.80 53.76
29 D 201.90 200.5
31 T 36.40 40.79
32 D 23.80 24.56
33 Q 21.40 22.36
34 Q 21.40 22.36
35 D 67.50 74.4
37 T 40.00 40.7
38 S 172.40 172.66





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 13.97 14.23
2 T 22.15 22.8
3 T 32.04 32.0
4 T 28.72 29.5
5 T 29.58 29.75
6 T 29.66 29.43
7 T 30.18 28.82
8 T 25.57 25.2
9 T 36.72 36.95
10 D 67.60 67.45
12 T 40.90 43.44
13 S 173.40 171.4
16 D 50.80 49.9
17 T 36.30 36.9
18 S 170.60 172.0
21 S 172.18 171.4
24 D 57.01 57.0
25 S 170.55 170.4
28 D 53.76 56.8
29 D 200.50 201.9
31 T 40.79 36.4
32 D 24.56 23.8
33 Q 22.36 21.4
34 Q 22.36 21.4
35 D 74.40 67.5
37 T 40.70 40.0
38 S 172.66 172.4






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