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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 55.70 56.03
3 S 157.23 160.61
4 D 104.80 112.05
5 D 127.76 129.46
6 S 115.51 123.6
7 S 153.05 153.9
8 S 118.80 111.84
9 T 28.05 36.14
10 T 63.04 63.0
13 D 73.59 76.65
14 S 121.04 117.8
15 D 128.23 128.6
16 D 107.50 107.6
17 S 158.78 159.4
19 D 103.30 103.4
20 S 155.83 156.1
22 T 29.65 41.5
23 T 25.68 27.3





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 56.03 55.7
3 S 160.61 157.23
4 D 112.05 104.8
5 D 129.46 127.76
6 S 123.60 115.51
7 S 153.90 153.05
8 S 111.84 118.8
9 T 36.14 28.05
10 T 63.00 63.04
13 D 76.65 73.59
14 S 117.80 121.04
15 D 128.60 128.23
16 D 107.60 107.5
17 S 159.40 158.78
19 D 103.40 103.3
20 S 156.10 155.83
22 T 41.50 29.65
23 T 27.30 25.68






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