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Details
This molecule without stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
T
106.30
106.3
2
S
152.50
152.5
3
T
31.80
31.8
4
T
27.90
27.9
5
D
41.74
40.1
6
D
39.42
36.6
7
T
30.50
30.5
8
T
22.96
25.9
9
D
124.64
124.1
10
S
131.83
130.1
11
Q
19.97
17.73
12
Q
20.20
25.82
13
T
69.80
69.8
15
D
102.30
102.7
17
T
62.86
57.57
18
D
71.73
74.47
20
S
171.50
173.7
21
Q
20.87
20.71
23
D
73.57
76.5
25
D
73.02
73.3
27
D
36.60
36.6
28
D
123.70
123.7
29
S
133.00
133.0
30
Q
23.90
23.9
31
T
30.80
30.8
32
T
25.00
25.0
33
D
42.80
42.8
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
106.30
106.3
2
S
152.50
152.5
3
T
31.80
31.8
4
T
27.90
27.9
5
D
40.10
41.74
6
D
36.60
39.42
7
T
30.50
30.5
8
T
25.90
22.96
9
D
124.10
124.64
10
S
130.10
131.83
11
Q
17.73
19.97
12
Q
25.82
20.2
13
T
69.80
69.8
15
D
102.70
102.3
17
T
57.57
62.86
18
D
74.47
71.73
20
S
173.70
171.5
21
Q
20.71
20.87
23
D
76.50
73.57
25
D
73.30
73.02
27
D
36.60
36.6
28
D
123.70
123.7
29
S
133.00
133.0
30
Q
23.90
23.9
31
T
30.80
30.8
32
T
25.00
25.0
33
D
42.80
42.8
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