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Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 16.94 18.3
2 D 36.02 37.54
3 T 36.77 37.2
4 D 68.39 76.48
6 S 42.89 47.9
7 T 65.65 66.75
9 D 48.71 48.9
10 D 127.02 129.43
11 D 127.70 124.81
12 T 27.56 27.49
13 D 42.48 44.21
14 T 63.83 63.6
16 S 52.72 50.4
17 T 42.09 41.4
18 D 71.82 73.0
19 S 125.33 126.0
20 D 108.54 108.8
21 D 144.44 144.8
23 D 140.31 140.0
25 S 177.38 177.8





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 18.30 16.94
2 D 37.54 36.02
3 T 37.20 36.77
4 D 76.48 68.39
6 S 47.90 42.89
7 T 66.75 65.65
9 D 48.90 48.71
10 D 129.43 127.02
11 D 124.81 127.7
12 T 27.49 27.56
13 D 44.21 42.48
14 T 63.60 63.83
16 S 50.40 52.72
17 T 41.40 42.09
18 D 73.00 71.82
19 S 126.00 125.33
20 D 108.80 108.54
21 D 144.80 144.44
23 D 140.00 140.31
25 S 177.80 177.38






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