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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 40.20 40.3
3 D 59.65 59.9
4 T 25.31 25.37
5 T 25.20 25.37
6 D 59.70 59.9
7 T 36.10 36.4
8 D 68.00 68.4
10 S 172.20 172.37
12 D 54.60 54.57
13 T 64.10 63.85
15 S 135.90 135.99
16 D 128.80 128.65
17 D 128.10 128.91
18 D 127.60 127.48
19 D 128.10 128.91
20 D 128.80 128.65
21 T 36.15 36.4




Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 40.30 40.2
3 D 59.90 59.65
4 T 25.37 25.31
5 T 25.37 25.2
6 D 59.90 59.7
7 T 36.40 36.1
8 D 68.40 68.0
10 S 172.37 172.2
12 D 54.57 54.6
13 T 63.85 64.1
15 S 135.99 135.9
16 D 128.65 128.8
17 D 128.91 128.1
18 D 127.48 127.6
19 D 128.91 128.1
20 D 128.65 128.8
21 T 36.40 36.15





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