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Details
This molecule without stereoconfiguration:
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
27.50
27.58
3
S
156.30
156.1
6
S
149.30
148.4
7
D
120.98
120.55
8
D
106.50
106.4
9
S
143.30
143.1
10
S
137.40
137.5
11
D
114.28
116.1
12
S
52.60
52.6
13
Q
27.20
27.3
14
T
40.70
40.8
15
T
53.20
53.2
17
Q
36.90
36.7
18
D
98.10
98.2
20
Q
38.40
38.5
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
27.58
27.5
3
S
156.10
156.3
6
S
148.40
149.3
7
D
120.55
120.98
8
D
106.40
106.5
9
S
143.10
143.3
10
S
137.50
137.4
11
D
116.10
114.28
12
S
52.60
52.6
13
Q
27.30
27.2
14
T
40.80
40.7
15
T
53.20
53.2
17
Q
36.70
36.9
18
D
98.20
98.1
20
Q
38.50
38.4
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