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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 29.70 28.83
2 S 207.27 207.34
4 D 57.97 41.28
5 S 124.13 128.61
6 D 107.74 112.8
7 S 152.64 160.68
9 D 101.88 102.1
10 S 149.96 147.18
12 S 136.92 145.22
14 T 74.57 73.8
15 S 69.46 75.9
16 Q 24.44 26.53





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 28.83 29.7
2 S 207.34 207.27
4 D 41.28 57.97
5 S 128.61 124.13
6 D 112.80 107.74
7 S 160.68 152.64
9 D 102.10 101.88
10 S 147.18 149.96
12 S 145.22 136.92
14 T 73.80 74.57
15 S 75.90 69.46
16 Q 26.53 24.44






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