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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
16.94
18.3
2
D
36.02
37.54
3
T
36.77
37.2
4
D
68.39
76.48
6
S
42.89
47.9
7
T
65.65
66.75
9
D
48.71
48.9
10
D
127.02
129.43
11
D
127.70
124.81
12
T
27.56
27.49
13
D
42.48
44.21
14
T
63.83
63.6
16
S
52.72
50.4
17
T
42.09
41.4
18
D
71.82
73.0
19
S
125.33
126.0
20
D
108.54
108.8
21
D
144.44
144.8
23
D
140.31
140.0
25
S
177.38
177.8
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
18.30
16.94
2
D
37.54
36.02
3
T
37.20
36.77
4
D
76.48
68.39
6
S
47.90
42.89
7
T
66.75
65.65
9
D
48.90
48.71
10
D
129.43
127.02
11
D
124.81
127.7
12
T
27.49
27.56
13
D
44.21
42.48
14
T
63.60
63.83
16
S
50.40
52.72
17
T
41.40
42.09
18
D
73.00
71.82
19
S
126.00
125.33
20
D
108.80
108.54
21
D
144.80
144.44
23
D
140.00
140.31
25
S
177.80
177.38
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