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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 23.24 23.2
2 S 134.60 134.5
3 D 123.23 123.6
4 D 35.76 36.16
5 T 34.99 31.44
6 S 156.45 141.6
7 D 121.12 124.43
8 S 173.87 172.01
11 T 46.05 50.65
12 S 174.19 171.91
15 D 71.62 61.0
16 S 39.73 39.32
17 Q 23.13 25.3
18 Q 25.13 25.3
19 D 46.38 46.1
20 T 22.44 26.43
21 T 29.88 30.47





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 23.20 23.24
2 S 134.50 134.6
3 D 123.60 123.23
4 D 36.16 35.76
5 T 31.44 34.99
6 S 141.60 156.45
7 D 124.43 121.12
8 S 172.01 173.87
11 T 50.65 46.05
12 S 171.91 174.19
15 D 61.00 71.62
16 S 39.32 39.73
17 Q 25.30 23.13
18 Q 25.30 25.13
19 D 46.10 46.38
20 T 26.43 22.44
21 T 30.47 29.88






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