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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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Type: 13C 75.0
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
1
D
134.4
134.71
2
D
123.8
121.99
3
D
121.0
131.18
4
S
136.7
133.45
5
D
43.4
42.43
6
S
36.5
36.67
7
T
27.1
24.71
8
S
160.1
160.89
9
D
78.4
77.58
10
T
45.4
42.55
11
S
119.6
120.59
12
S
175.0
174.77
15
T
66.1
66.84
17
S
170.8
170.86
19
Q
20.9
21.09
20
Q
24.6
25.74
22
Q
8.3
8.89
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
1
D
134.71
134.4
2
D
121.99
123.8
3
D
131.18
121.0
4
S
133.45
136.7
5
D
42.43
43.4
6
S
36.67
36.5
7
T
24.71
27.1
8
S
160.89
160.1
9
D
77.58
78.4
10
T
42.55
45.4
11
S
120.59
119.6
12
S
174.77
175.0
15
T
66.84
66.1
17
S
170.86
170.8
19
Q
21.09
20.9
20
Q
25.74
24.6
22
Q
8.89
8.3
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