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Details
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
17.68
17.45
2
S
131.64
130.53
3
Q
25.67
25.32
4
D
123.95
124.03
5
T
26.67
26.5
6
T
39.73
39.2
7
S
134.95
134.2
8
Q
15.98
15.83
9
D
123.92
123.75
10
T
26.77
25.3
11
T
40.25
40.2
12
S
139.63
138.75
13
Q
16.95
16.45
14
D
125.83
125.34
15
D
125.09
129.21
16
D
132.54
140.41
17
S
134.91
137.13
18
Q
16.96
12.82
19
D
131.52
134.44
20
D
126.45
130.98
21
D
125.82
130.98
22
D
130.39
134.44
23
S
137.29
137.13
24
Q
13.32
12.82
25
D
134.67
138.44
26
D
122.97
126.01
27
D
131.91
130.6
28
S
133.77
137.77
29
Q
16.70
12.17
30
D
138.91
138.4
31
D
125.77
125.8
32
S
137.82
137.4
33
S
126.19
126.2
34
Q
21.66
21.6
35
T
42.65
42.6
36
D
65.00
65.1
38
T
48.54
48.4
39
S
37.16
37.1
40
Q
30.30
29.5
41
Q
28.77
29.5
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
17.45
17.68
2
S
130.53
131.64
3
Q
25.32
25.67
4
D
124.03
123.95
5
T
26.50
26.67
6
T
39.20
39.73
7
S
134.20
134.95
8
Q
15.83
15.98
9
D
123.75
123.92
10
T
25.30
26.77
11
T
40.20
40.25
12
S
138.75
139.63
13
Q
16.45
16.95
14
D
125.34
125.83
15
D
129.21
125.09
16
D
140.41
132.54
17
S
137.13
134.91
18
Q
12.82
16.96
19
D
134.44
131.52
20
D
130.98
126.45
21
D
130.98
125.82
22
D
134.44
130.39
23
S
137.13
137.29
24
Q
12.82
13.32
25
D
138.44
134.67
26
D
126.01
122.97
27
D
130.60
131.91
28
S
137.77
133.77
29
Q
12.17
16.7
30
D
138.40
138.91
31
D
125.80
125.77
32
S
137.40
137.82
33
S
126.20
126.19
34
Q
21.60
21.66
35
T
42.60
42.65
36
D
65.10
65.0
38
T
48.40
48.54
39
S
37.10
37.16
40
Q
29.50
30.3
41
Q
29.50
28.77
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