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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C 100
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 T 34.3 24.3334.3
2 T 31.9 32.1131.9
3 D 138.2 141.18138.2
4 S 136.7 138.07136.7
5 T 24.0 36.324.0
6 T 42.6 47.3642.6
7 S 204.0 200.72204.0
8 Q 12.6 11.6512.6
9 Q 15.6 16.3115.6
10 T 64.7 65.264.7
11 S 170.2 170.52170.2
12 Q 20.6 20.7820.6
13 S 62.9 62.4262.9
14 S 60.5 62.0860.5
15 S 62.9 68.2362.9
16 S 170.3 170.61170.3
17 Q 20.6 20.8320.6
18 D 61.5 60.4761.5
19 S 61.9 60.8961.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 T 24.33 34.334.3
2 T 32.11 31.931.9
3 D 141.18 138.2138.2
4 S 138.07 136.7136.7
5 T 36.30 24.024.0
6 T 47.36 42.642.6
7 S 200.72 204.0204.0
8 Q 11.65 12.612.6
9 Q 16.31 15.615.6
10 T 65.20 64.764.7
11 S 170.52 170.2170.2
12 Q 20.78 20.620.6
13 S 62.42 62.962.9
14 S 62.08 60.560.5
15 T 68.23 62.962.9
16 S 170.61 170.3170.3
17 Q 20.83 20.620.6
18 D 60.47 61.561.5
19 S 60.89 61.961.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 T 34.3 34.324.33
2 T 31.9 31.932.11
3 D 138.2 138.2141.18
4 S 136.7 136.7138.07
5 T 24.0 24.036.3
6 T 42.6 42.647.36
7 S 204.0 204.0200.72
8 Q 12.6 12.611.65
9 Q 15.6 15.616.31
10 T 64.7 64.765.2
11 S 170.2 170.2170.52
12 Q 20.6 20.620.78
13 T 62.9 62.962.42
14 S 60.5 60.562.08
15 T 62.9 62.968.23
16 S 170.3 170.3170.61
17 Q 20.6 20.620.83
18 D 61.5 61.560.47
19 S 61.9 61.960.89






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