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This molecule with other stereoconfigurations:


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
1 T 29.5 25.7629.5
2 D 32.9 32.9530.2
3 S 96.7 96.7896.75
4 S 174.7 174.75174.7
5 T 29.0 29.429.3
6 T 20.8 20.8620.8
7 T 37.4 37.4637.4
8 D 76.5 76.5674.8
9 S 171.8 171.78171.05
10 Q 21.7 21.6921.7

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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
1 T 25.76 29.529.5
2 D 32.95 32.930.2
3 S 96.78 96.796.75
4 S 174.75 174.7174.7
5 T 29.40 29.029.3
6 T 20.86 20.820.8
7 T 37.46 37.437.4
8 D 76.56 76.574.8
9 S 171.78 171.8171.05
10 Q 21.69 21.721.7

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
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 T 29.50 29.525.76
2 D 30.20 32.932.95
3 S 96.75 96.796.78
4 S 174.70 174.7174.75
5 T 29.30 29.029.4
6 T 20.80 20.820.86
7 T 37.40 37.437.46
8 D 74.80 76.576.56
9 S 171.05 171.8171.78
10 Q 21.70 21.721.69

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