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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 T 31.2 31.331.41
2 T 17.8 17.918.01
3 T 41.4 41.4541.57
4 S 33.1 33.4333.27
5 D 41.8 41.7541.97
6 S 41.6 41.541.77
7 T 26.0 25.8526.21
8 D 157.5 156.5157.84
9 S 140.5 140.7140.71
10 S 77.8 78.4278.03
11 D 192.7 192.35193.0
12 D 202.2 201.85202.54
13 Q 17.1 17.3117.31
14 Q 22.1 31.9527.79
15 S 33.1 28.3727.79





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 T 31.30 31.231.41
2 T 17.90 17.818.01
3 T 41.45 41.441.57
4 S 33.43 33.133.27
5 D 41.75 41.841.97
6 S 41.50 41.641.77
7 T 25.85 26.026.21
8 D 156.50 157.5157.84
9 S 140.70 140.5140.71
10 S 78.42 77.878.03
11 D 192.35 192.7193.0
12 D 201.85 202.2202.54
13 Q 17.31 17.117.31
14 Q 31.95 22.127.79
15 Q 28.37 33.127.79





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 T 31.41 31.231.3
2 T 18.01 17.817.9
3 T 41.57 41.441.45
4 S 33.27 33.133.43
5 D 41.97 41.841.75
6 S 41.77 41.641.5
7 T 26.21 26.025.85
8 D 157.84 157.5156.5
9 S 140.71 140.5140.7
10 S 78.03 77.878.42
11 D 193.00 192.7192.35
12 D 202.54 202.2201.85
13 Q 17.31 17.117.31
14 Q 27.79 22.131.95
15 Q 27.79 33.128.37






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