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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
13C Spectrum
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Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 3.0
3-H 6.56
4-H 5.85
11-H 1.67
13-H
14-H 2.93
15-H 1.22
17-H 5.03
20-H 3.66
24-H





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 T 31.4 31.431.4
2 S 180.2 180.2180.2
3 D 130.6 130.6130.6
4 T 76.0 76.076.0
6 S 208.9 208.9208.9
8 S 178.9 178.9178.9
10 S 45.2 45.245.2
11 Q 23.2 23.223.2
12 S 80.5 80.580.5
14 D 42.9 42.942.9
15 Q 13.6 13.613.6
16 S 60.2 60.260.2
17 D 80.9 80.980.9
19 S 171.5 171.5171.5
20 Q 52.7 52.752.7
23 S 105.9 105.9105.9





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 T 31.4 31.431.4
2 S 180.2 180.2180.2
3 D 130.6 130.6130.6
4 T 76.0 76.076.0
6 S 208.9 208.9208.9
8 S 178.9 178.9178.9
10 S 45.2 45.245.2
11 Q 23.2 23.223.2
12 S 80.5 80.580.5
14 D 42.9 42.942.9
15 Q 13.6 13.613.6
16 S 60.2 60.260.2
17 D 80.9 80.980.9
19 S 171.5 171.5171.5
20 Q 52.7 52.752.7
23 S 105.9 105.9105.9






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