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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C 150.0
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
T
63.1968
65.47
66.33
2
D
70.7443
73.2
74.8
3
D
69.1801
71.6
73.4
4
D
69.1801
71.6
73.4
5
D
70.7443
73.2
74.8
6
T
63.1968
65.47
66.33
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Chemikalienlager Uni Mainz
Prediction 1
hose_lotusv7
1
D
73.20
70.7443
74.8
2
D
71.60
69.1801
73.4
3
D
71.60
69.1801
73.4
4
D
73.20
70.7443
74.8
5
T
65.47
63.1968
66.33
6
T
65.47
63.1968
66.33
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Chemikalienlager Uni Mainz
Prediction 1
acd_lotusv7
1
D
74.80
70.7443
73.2
2
D
73.40
69.1801
71.6
3
D
73.40
69.1801
71.6
4
D
74.80
70.7443
73.2
5
T
66.33
63.1968
65.47
6
T
66.33
63.1968
65.47
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