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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
T
29.5
25.76
29.5
2
D
32.9
32.95
30.2
3
S
96.7
96.78
96.75
4
S
174.7
174.75
174.7
5
T
29.0
29.4
29.3
6
T
20.8
20.86
20.8
7
T
37.4
37.46
37.4
8
D
76.5
76.56
74.8
9
S
171.8
171.78
171.05
10
Q
21.7
21.69
21.7
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
T
25.76
29.5
29.5
2
D
32.95
32.9
30.2
3
S
96.78
96.7
96.75
4
S
174.75
174.7
174.7
5
T
29.40
29.0
29.3
6
T
20.86
20.8
20.8
7
T
37.46
37.4
37.4
8
D
76.56
76.5
74.8
9
S
171.78
171.8
171.05
10
Q
21.69
21.7
21.7
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
T
29.50
29.5
25.76
2
D
30.20
32.9
32.95
3
S
96.75
96.7
96.78
4
S
174.70
174.7
174.75
5
T
29.30
29.0
29.4
6
T
20.80
20.8
20.86
7
T
37.40
37.4
37.46
8
D
74.80
76.5
76.56
9
S
171.05
171.8
171.78
10
Q
21.70
21.7
21.69
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