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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C 125
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
Prediction 0
hose_lotusv7
1
D
48.20
0.89
48.2
2
D
60.29
0.88
60.29
3
D
31.50
0.84
31.51
4
D
77.77
0.87
77.58
5
S
51.97
0.5
51.97
6
T
26.68
0.84
26.68
7
S
139.80
0.45
140.68
8
T
42.35
0.92
42.35
9
T
64.55
0.85
64.53
10
D
60.03
0.87
60.03
11
T
42.29
0.88
42.29
12
S
123.01
0.44
123.01
13
S
135.99
0.34
135.99
14
S
168.89
0.42
168.89
15
D
128.07
0.8
127.47
16
T
52.66
0.9
52.02
17
T
50.18
0.88
50.18
18
D
105.56
0.95
105.56
19
D
101.07
1.0
101.07
20
S
146.32
0.32
146.32
21
S
149.38
0.35
149.38
22
Q
56.50
0.86
56.5
23
Q
56.21
0.82
56.3
Spectral Data
Additional Data
Download
Type: 1H 500
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
1-H
1.30
0.07
2-H
3.84
0.1
3-H
3.17
0.3
4-H
4.30
0.03
6-H
2.39, 1.52
0.06;0.14
8-H
3.11, 2.65
0.06;0.05
9-H
4.16, 4.08
0.08;0.08
10-H
3.93
0.29
11-H
1.90
0.16
15-H
5.94
0.17
16-H
3.76, 2.79
0.12;0.13
17-H
3.26, 2.89
0.06;0.03
18-H
6.69
0.25
19-H
7.82
0.21
22-H
3.87
0.83
23-H
3.91
0.74
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
1
D
48.20
48.2
2
D
60.29
60.29
3
D
31.51
31.5
4
D
77.58
77.77
5
S
51.97
51.97
6
T
26.68
26.68
7
S
140.68
139.8
8
T
42.35
42.35
9
T
64.53
64.55
10
D
60.03
60.03
11
T
42.29
42.29
12
S
123.01
123.01
13
S
135.99
135.99
14
S
168.89
168.89
15
D
127.47
128.07
16
T
52.02
52.66
17
T
50.18
50.18
18
D
105.56
105.56
19
D
101.07
101.07
20
S
146.32
146.32
21
S
149.38
149.38
22
Q
56.50
56.5
23
Q
56.30
56.21
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