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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 14.20 13.97
2 T 22.79 22.15
3 T 31.91 32.04
4 T 29.35 28.72
5 T 29.35 29.4
6 T 29.26 29.6
7 T 29.09 29.8
8 T 25.08 30.1
9 T 34.31 35.03
10 S 172.66 173.5
13 D 71.20 68.2
14 S 132.03 136.62
15 D 122.43 127.98
16 S 134.65 129.1
17 Q 17.10 16.57
18 S 149.16 156.5
20 S 149.06 147.9
22 Q 61.50 61.9
23 S 119.97 115.87
24 S 180.01 188.8
26 S 117.62 115.87
27 S 132.20 136.87
28 D 108.46 117.4
29 S 151.35 146.37
31 S 134.66 131.53
33 S 149.42 145.22
35 Q 61.55 61.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 13.97 14.2
2 T 22.15 22.79
3 T 32.04 31.91
4 T 28.72 29.35
5 T 29.40 29.35
6 T 29.60 29.26
7 T 29.80 29.09
8 T 30.10 25.08
9 T 35.03 34.31
10 S 173.50 172.66
13 D 68.20 71.2
14 S 136.62 132.03
15 D 127.98 122.43
16 S 129.10 134.65
17 Q 16.57 17.1
18 S 156.50 149.16
20 S 147.90 149.06
22 Q 61.90 61.5
23 S 115.87 119.97
24 S 188.80 180.01
26 S 115.87 117.62
27 S 136.87 132.2
28 D 117.40 108.46
29 S 146.37 151.35
31 S 131.53 134.66
33 S 145.22 149.42
35 Q 61.00 61.55






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