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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
20.11
18.55
2
S
132.85
131.5
3
Q
19.92
23.8
4
D
123.15
125.2
5
T
23.28
27.1
6
T
29.08
33.2
7
D
43.81
43.9
8
S
180.05
179.5
11
D
81.55
82.0
12
T
37.43
46.2
13
S
56.10
49.9
14
Q
25.88
27.9
15
S
167.40
141.6
16
D
124.30
128.23
17
S
201.01
199.91
19
D
65.70
60.77
20
S
47.46
47.36
21
Q
28.20
22.66
22
Q
24.70
22.66
23
S
214.50
216.42
25
T
33.90
33.5
26
T
34.44
38.1
27
S
44.31
37.68
28
Q
21.30
16.6
29
D
49.24
46.09
30
T
19.22
18.15
31
T
31.45
33.2
32
S
39.83
46.63
33
Q
16.47
19.63
34
D
55.14
49.75
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
18.55
20.11
2
S
131.50
132.85
3
Q
23.80
19.92
4
D
125.20
123.15
5
T
27.10
23.28
6
T
33.20
29.08
7
D
43.90
43.81
8
S
179.50
180.05
11
D
82.00
81.55
12
T
46.20
37.43
13
S
49.90
56.1
14
Q
27.90
25.88
15
S
141.60
167.4
16
D
128.23
124.3
17
S
199.91
201.01
19
D
60.77
65.7
20
S
47.36
47.46
21
Q
22.66
28.2
22
Q
22.66
24.7
23
S
216.42
214.5
25
T
33.50
33.9
26
T
38.10
34.44
27
S
37.68
44.31
28
Q
16.60
21.3
29
D
46.09
49.24
30
T
18.15
19.22
31
T
33.20
31.45
32
S
46.63
39.83
33
Q
19.63
16.47
34
D
49.75
55.14
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