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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C 150 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
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

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
1H Spectrum
20187028 Rating: 10
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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
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

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
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

Double click upper part to get resizeable window!




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