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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 14.14 13.97
2 T 22.77 22.15
3 T 32.22 32.04
4 T 29.30 28.72
5 T 29.77 29.04
6 T 29.77 29.07
7 T 29.57 29.42
8 T 29.35 29.5
9 T 29.21 29.42
10 T 29.40 29.62
11 T 29.30 29.7
12 T 29.23 29.78
13 T 29.23 29.8
14 T 25.21 28.0
15 T 35.10 35.0
16 S 173.89 173.7
19 D 77.31 77.2
20 T 30.81 34.6
21 D 75.85 78.6
23 S 44.66 42.4
24 Q 12.82 9.3
25 D 48.01 54.4
26 T 18.16 18.1
27 T 31.84 33.74
28 S 42.89 44.02
29 Q 17.91 18.88
30 D 55.67 55.08
31 D 68.29 69.64
33 D 126.85 132.45
34 S 144.00 147.66
35 D 58.00 58.12
36 D 37.98 39.28
37 Q 17.60 17.07
38 D 39.30 39.3
39 Q 21.30 21.41
40 T 31.00 31.51
41 T 38.50 41.42
42 S 33.60 33.4
43 Q 29.18 28.89
44 T 26.80 27.16
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
45 T 31.93 26.94
46 S 40.89 42.13
47 Q 22.62 24.21
48 S 38.83 38.2
49 Q 23.87 22.25
50 Q 22.20 22.25





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 13.97 14.14
2 T 22.15 22.77
3 T 32.04 32.22
4 T 28.72 29.3
5 T 29.04 29.77
6 T 29.07 29.77
7 T 29.42 29.57
8 T 29.50 29.35
9 T 29.42 29.21
10 T 29.62 29.4
11 T 29.70 29.3
12 T 29.78 29.23
13 T 29.80 29.23
14 T 28.00 25.21
15 T 35.00 35.1
16 S 173.70 173.89
19 D 77.20 77.31
20 T 34.60 30.81
21 D 78.60 75.85
23 S 42.40 44.66
24 Q 9.30 12.82
25 D 54.40 48.01
26 T 18.10 18.16
27 T 33.74 31.84
28 S 44.02 42.89
29 Q 18.88 17.91
30 D 55.08 55.67
31 D 69.64 68.29
33 D 132.45 126.85
34 S 147.66 144.0
35 D 58.12 58.0
36 D 39.28 37.98
37 Q 17.07 17.6
38 D 39.30 39.3
39 Q 21.41 21.3
40 T 31.51 31.0
41 T 41.42 38.5
42 S 33.40 33.6
43 Q 28.89 29.18
44 T 27.16 26.8
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
45 T 26.94 31.93
46 S 42.13 40.89
47 Q 24.21 22.62
48 S 38.20 38.83
49 Q 22.25 23.87
50 Q 22.25 22.2






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