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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C 125
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 D 137.8 137.8137.8
2 S 160.9 160.9160.9
3 D 105.8 105.8105.8
4 Q 29.6 29.629.6
6 S 197.1 197.1197.1
8 S 139.8 139.8139.8
9 S 167.3 167.3167.3
12 Q 52.2 52.252.2
13 S 117.6 117.6117.6
14 Q 50.6 50.650.6
16 T 33.7 34.1633.7
17 Q 18.9 18.918.9
18 S 145.7 145.7145.7
19 T 113.3 113.3113.3
20 D 41.2 41.241.2
21 T 37.0 25.8937.0
22 D 143.5 143.5143.5
23 S 126.6 126.6126.6
24 T 41.5 41.541.5
25 Q 30.7 30.730.7
26 S 204.2 204.2204.2
28 S 162.4 162.4162.4
29 Q 52.8 52.852.8





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 D 137.80 137.8137.8
2 S 160.90 160.9160.9
3 D 105.80 105.8105.8
4 Q 29.60 29.629.6
6 S 197.10 197.1197.1
8 S 139.80 139.8139.8
9 S 167.30 167.3167.3
12 Q 52.20 52.252.2
13 S 117.60 117.6117.6
14 Q 50.60 50.650.6
16 T 34.16 33.733.7
17 Q 18.90 18.918.9
18 S 145.70 145.7145.7
19 T 113.30 113.3113.3
20 D 41.20 41.241.2
21 T 25.89 37.037.0
22 D 143.50 143.5143.5
23 S 126.60 126.6126.6
24 T 41.50 41.541.5
25 Q 30.70 30.730.7
26 S 204.20 204.2204.2
28 S 162.40 162.4162.4
29 Q 52.80 52.852.8





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 D 137.8 137.8137.8
2 S 160.9 160.9160.9
3 D 105.8 105.8105.8
4 Q 29.6 29.629.6
6 S 197.1 197.1197.1
8 S 139.8 139.8139.8
9 S 167.3 167.3167.3
12 Q 52.2 52.252.2
13 S 117.6 117.6117.6
14 Q 50.6 50.650.6
16 T 33.7 33.734.16
17 Q 18.9 18.918.9
18 S 145.7 145.7145.7
19 T 113.3 113.3113.3
20 D 41.2 41.241.2
21 T 37.0 37.025.89
22 D 143.5 143.5143.5
23 S 126.6 126.6126.6
24 T 41.5 41.541.5
25 Q 30.7 30.730.7
26 S 204.2 204.2204.2
28 S 162.4 162.4162.4
29 Q 52.8 52.852.8






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