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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 1H 900.0 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
21-H
20-H
19-H
18-H
17-H
8-H 5.678
6-H 5.881
6'-H 6.587
5'-H 6.677
4-H 2.647, 2.341
3-H 3.805
2-H 4.468
2'-H 6.713

Unassigned shifts in this spectrum:
H 1
Intensity
8.866 0.0
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Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
15 D 115.2 114.92114.8
14 S 145.6 145.41145.25
13 S 145.7 145.42145.22
12 D 115.6 115.62115.35
11 D 120.0 119.53119.2
10 S 132.2 131.49131.3
9 D 82.7 82.0382.7
8 D 68.3 67.9768.3
7 T 28.8 28.1328.8
6 S 156.9 156.32156.9
5 S 100.6 100.19100.6
4 S 157.2 156.59157.2
3 D 96.1 95.7996.1
2 S 157.7 156.83157.7
1 D 95.4 95.195.4

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
15 D 114.92 115.2114.8
14 S 145.41 145.6145.25
13 S 145.42 145.7145.22
12 D 115.62 115.6115.35
11 D 119.53 120.0119.2
10 S 131.49 132.2131.3
9 D 82.03 82.782.7
8 D 67.97 68.368.3
7 T 28.13 28.828.8
6 S 156.32 156.9156.9
5 S 100.19 100.6100.6
4 S 156.59 157.2157.2
3 D 95.79 96.196.1
2 S 156.83 157.7157.7
1 D 95.10 95.495.4

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
15 D 114.80 115.2114.92
14 S 145.25 145.6145.41
13 S 145.22 145.7145.42
12 D 115.35 115.6115.62
11 D 119.20 120.0119.53
10 S 131.30 132.2131.49
9 D 82.70 82.782.03
8 D 68.30 68.367.97
7 T 28.80 28.828.13
6 S 156.90 156.9156.32
5 S 100.60 100.6100.19
4 S 157.20 157.2156.59
3 D 96.10 96.195.79
2 S 157.70 157.7156.83
1 D 95.40 95.495.1

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