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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 D 104.3 104.07104.3
2 D 138.6 138.2138.6
3 D 116.6 116.6116.6
4 S 163.5 163.07163.5
6 S 151.1 151.5151.1
7 T 51.6 49.051.6
8 D 32.7 32.4332.7
9 T 22.6 23.822.6
10 D 35.6 35.1335.6
11 T 54.4 54.454.4
13 D 63.3 63.863.3
15 T 25.7 26.725.7
16 T 19.2 20.623.96
17 T 20.8 22.020.8
18 T 53.0 53.053.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 104.07 104.3104.3
2 D 138.20 138.6138.6
3 D 116.60 116.6116.6
4 S 163.07 163.5163.5
6 S 151.50 151.1151.1
7 T 49.00 51.651.6
8 D 32.43 32.732.7
9 T 23.80 22.622.6
10 D 35.13 35.635.6
11 T 54.40 54.454.4
13 D 63.80 63.363.3
15 T 26.70 25.725.7
16 T 20.60 19.223.96
17 T 22.00 20.820.8
18 T 53.00 53.053.0





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 104.30 104.3104.07
2 D 138.60 138.6138.2
3 D 116.60 116.6116.6
4 S 163.50 163.5163.07
6 S 151.10 151.1151.5
7 T 51.60 51.649.0
8 D 32.70 32.732.43
9 T 22.60 22.623.8
10 D 35.60 35.635.13
11 T 54.40 54.454.4
13 D 63.30 63.363.8
15 T 25.70 25.726.7
16 T 23.96 19.220.6
17 T 20.80 20.822.0
18 T 53.00 53.053.0






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