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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
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Type: 13C 500
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
Prediction 0
hose_lotusv7
1
S
173.04
0.48
173.04
2
D
50.80
1.0
50.8
3
D
52.07
0.95
52.07
4
S
49.35
0.62
49.35
5
S
53.02
0.44
53.02
6
S
90.47
0.51
90.47
7
T
44.27
0.97
44.27
8
T
42.69
0.91
42.69
9
D
50.40
0.97
50.4
10
Q
14.44
0.96
14.44
11
D
68.40
0.92
68.4
12
S
178.61
0.34
178.61
13
D
131.41
0.85
131.41
14
S
76.54
0.57
76.54
15
S
157.68
0.51
157.68
16
T
16.50
0.91
16.5
17
D
133.23
0.84
133.23
18
T
38.73
0.98
38.73
19
T
106.11
0.87
106.11
Spectral Data
Additional Data
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Type: 1H 500
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
2-H
2.49
0.62
3-H
3.07
0.16
7-H
1.70, 1.64
0.27;0.28
8-H
2.17, 2.14
0.3;0.25
9-H
1.85
0.1
10-H
1.06
1.0
11-H
3.86
0.38
13-H
6.32
0.17
16-H
1.65, 1.62
0.04;0.23
17-H
5.80
0.09
18-H
1.90, 1.61
0.17;0.46
19-H
5.11, 4.83
0.4;0.4
21-H
24-H
4.81
0.29
25-H
0.98
0.05
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
1
S
173.04
173.04
2
D
50.80
50.8
3
D
52.07
52.07
4
S
49.35
49.35
5
S
53.02
53.02
6
S
90.47
90.47
7
T
44.27
44.27
8
T
42.69
42.69
9
D
50.40
50.4
10
Q
14.44
14.44
11
D
68.40
68.4
12
S
178.61
178.61
13
D
131.41
131.41
14
S
76.54
76.54
15
S
157.68
157.68
16
T
16.50
16.5
17
D
133.23
133.23
18
T
38.73
38.73
19
T
106.11
106.11
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