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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C 75.0
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
1 D 134.4 134.71
2 D 123.8 121.99
3 D 121.0 131.18
4 S 136.7 133.45
5 D 43.4 42.43
6 S 36.5 36.67
7 T 27.1 24.71
8 S 160.1 160.89
9 D 78.4 77.58
10 T 45.4 42.55
11 S 119.6 120.59
12 S 175.0 174.77
15 T 66.1 66.84
17 S 170.8 170.86
19 Q 20.9 21.09
20 Q 24.6 25.74
22 Q 8.3 8.89





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
1 D 134.71 134.4
2 D 121.99 123.8
3 D 131.18 121.0
4 S 133.45 136.7
5 D 42.43 43.4
6 S 36.67 36.5
7 T 24.71 27.1
8 S 160.89 160.1
9 D 77.58 78.4
10 T 42.55 45.4
11 S 120.59 119.6
12 S 174.77 175.0
15 T 66.84 66.1
17 S 170.86 170.8
19 Q 21.09 20.9
20 Q 25.74 24.6
22 Q 8.89 8.3






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