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Details
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
14.76
14.81
2
T
65.40
64.88
4
S
158.28
153.68
5
D
112.49
108.73
6
S
139.29
135.32
7
T
43.12
38.01
8
S
170.74
173.9
11
D
48.66
49.8
12
T
42.82
38.77
13
D
23.89
24.82
14
Q
22.45
22.61
15
Q
22.45
22.61
16
S
128.78
120.88
17
D
126.67
128.68
18
D
118.65
120.33
19
D
127.54
131.21
20
D
112.76
115.97
21
S
152.40
141.75
23
T
54.05
51.0
24
T
26.06
25.77
25
T
23.75
24.16
26
T
26.06
25.77
27
T
54.05
51.0
28
D
120.17
129.58
29
D
128.72
130.53
30
S
118.69
118.84
31
S
166.14
167.12
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
14.81
14.76
2
T
64.88
65.4
4
S
153.68
158.28
5
D
108.73
112.49
6
S
135.32
139.29
7
T
38.01
43.12
8
S
173.90
170.74
11
D
49.80
48.66
12
T
38.77
42.82
13
D
24.82
23.89
14
Q
22.61
22.45
15
Q
22.61
22.45
16
S
120.88
128.78
17
D
128.68
126.67
18
D
120.33
118.65
19
D
131.21
127.54
20
D
115.97
112.76
21
S
141.75
152.4
23
T
51.00
54.05
24
T
25.77
26.06
25
T
24.16
23.75
26
T
25.77
26.06
27
T
51.00
54.05
28
D
129.58
120.17
29
D
130.53
128.72
30
S
118.84
118.69
31
S
167.12
166.14
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