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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
58.65
58.14
3
D
85.26
73.28
4
S
204.35
205.11
6
T
49.10
49.3
7
S
53.70
48.43
8
T
32.78
38.62
9
T
54.10
49.91
11
Q
38.20
40.95
12
S
75.35
68.15
13
T
33.16
43.46
14
D
76.95
75.89
16
S
107.10
107.25
18
Q
49.80
50.63
19
S
135.85
136.87
20
D
108.70
105.95
21
S
148.55
149.4
22
S
146.15
147.13
23
D
106.05
105.5
24
S
135.15
141.61
26
T
101.40
101.35
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
58.14
58.65
3
D
73.28
85.26
4
S
205.11
204.35
6
T
49.30
49.1
7
S
48.43
53.7
8
T
38.62
32.78
9
T
49.91
54.1
11
Q
40.95
38.2
12
S
68.15
75.35
13
T
43.46
33.16
14
D
75.89
76.95
16
S
107.25
107.1
18
Q
50.63
49.8
19
S
136.87
135.85
20
D
105.95
108.7
21
S
149.40
148.55
22
S
147.13
146.15
23
D
105.50
106.05
24
S
141.61
135.15
26
T
101.35
101.4
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