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This molecule with some stereoconfiguration:


Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 T 52.4 51.552.4
3 T 58.4 57.958.4
4 S 171.5 173.9171.5
8 T 58.4 57.958.4
9 S 171.5 173.9171.5
13 T 52.4 51.552.4
15 T 58.4 57.958.4
16 S 171.5 173.9171.5
20 T 58.4 57.958.4
21 S 171.5 173.9171.5





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 T 51.5 52.452.4
3 T 57.9 58.458.4
4 S 173.9 171.5171.5
8 T 57.9 58.458.4
9 S 173.9 171.5171.5
13 T 51.5 52.452.4
15 T 57.9 58.458.4
16 S 173.9 171.5171.5
20 T 57.9 58.458.4
21 S 173.9 171.5171.5





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 T 52.4 52.451.5
3 T 58.4 58.457.9
4 S 171.5 171.5173.9
8 T 58.4 58.457.9
9 S 171.5 171.5173.9
13 T 52.4 52.451.5
15 T 58.4 58.457.9
16 S 171.5 171.5173.9
20 T 58.4 58.457.9
21 S 171.5 171.5173.9





Spectral Data   Additional Data   Download  
Type: 1H 125
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 3.650
3-H 3.881
6-H
8-H 3.881
11-H
13-H 3.650
15-H 3.881
18-H
20-H 3.881
23-H






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