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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 14.11 13.97
2 T 22.63 22.15
3 T 31.75 31.1
4 T 29.30 29.65
5 T 29.73 29.4
6 T 25.25 25.4
7 T 33.20 33.2
8 D 80.60 80.7
9 T 36.26 35.7
10 D 127.50 126.5
11 D 130.60 130.7
12 T 28.30 27.8
13 T 36.22 35.64
14 S 172.20 172.29
17 T 40.20 44.65
18 S 133.00 131.14
19 D 122.60 123.2
21 S 61.40 62.81
23 D 62.40 57.7
24 D 68.30 74.52
26 S 170.20 170.1
27 Q 20.90 21.3
29 T 21.40 28.97
30 T 34.90 37.45
31 S 200.70 205.06
34 Q 56.35 55.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 13.97 14.11
2 T 22.15 22.63
3 T 31.10 31.75
4 T 29.65 29.3
5 T 29.40 29.73
6 T 25.40 25.25
7 T 33.20 33.2
8 D 80.70 80.6
9 T 35.70 36.26
10 D 126.50 127.5
11 D 130.70 130.6
12 T 27.80 28.3
13 T 35.64 36.22
14 S 172.29 172.2
17 T 44.65 40.2
18 S 131.14 133.0
19 D 123.20 122.6
21 S 62.81 61.4
23 D 57.70 62.4
24 D 74.52 68.3
26 S 170.10 170.2
27 Q 21.30 20.9
29 T 28.97 21.4
30 T 37.45 34.9
31 S 205.06 200.7
34 Q 55.40 56.35






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