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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
T
112.10
110.9
2
S
148.20
147.49
3
Q
20.30
20.41
4
D
52.63
47.3
5
D
139.41
135.44
6
D
117.09
135.02
7
S
126.09
128.85
8
S
152.57
138.07
9
Q
13.44
18.57
10
D
100.16
96.81
13
S
170.47
170.15
15
T
27.80
30.56
16
T
42.20
42.0
17
S
211.72
208.0
18
Q
30.10
31.0
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
T
110.90
112.1
2
S
147.49
148.2
3
Q
20.41
20.3
4
D
47.30
52.63
5
D
135.44
139.41
6
D
135.02
117.09
7
S
128.85
126.09
8
S
138.07
152.57
9
Q
18.57
13.44
10
D
96.81
100.16
13
S
170.15
170.47
15
T
30.56
27.8
16
T
42.00
42.2
17
S
208.00
211.72
18
Q
31.00
30.1
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