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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 1H Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
4-H
6-H 2.90
8-H
9-H
10-H
11-H 5.10
12-H 3.45
13-H 3.12
14-H
15-H 4.60
19-H 10.03 (H 29)
21-H 0.95
22-H 1.0
23-H
25-H 5.35 (H 27), 6.05 (H 28)

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
2 S 169.50 171.6
3 S 56.70 54.4
4 D 43.64 44.2
5 S 42.70 40.51
6 D 62.92 40.7
7 S 40.30 33.86
8 T 41.82 35.1
9 T 18.60 22.98
10 T 30.93 35.15
11 T 70.79 71.91
12 T 34.81 34.4
13 D 35.20 35.1
14 T 42.00 42.3
15 D 65.23 65.6
16 S 200.70 200.0
17 S 150.60 151.4
19 D 204.23 202.02
21 Q 28.45 26.85
22 Q 27.57 26.85
25 T 117.10 118.16

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2 S 171.60 169.5
3 S 54.40 56.7
4 D 44.20 43.64
5 S 40.51 42.7
6 D 40.70 62.92
7 S 33.86 40.3
8 D 35.10 41.82
9 T 22.98 18.6
10 T 35.15 30.93
11 T 71.91 70.79
12 T 34.40 34.81
13 D 35.10 35.2
14 T 42.30 42.0
15 D 65.60 65.23
16 S 200.00 200.7
17 S 151.40 150.6
19 D 202.02 204.23
21 Q 26.85 28.45
22 Q 26.85 27.57
25 T 118.16 117.1

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