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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
52.14
52.4
3
S
176.27
174.1
5
D
67.35
70.76
7
T
34.22
39.6
8
D
73.67
72.79
10
T
69.00
68.3
11
D
67.70
70.9
13
D
74.14
73.2
15
D
75.31
73.9
17
S
167.89
168.5
19
S
122.76
122.9
20
D
141.49
139.6
21
S
125.20
124.9
22
D
117.19
117.2
23
S
147.10
145.5
25
S
145.22
149.1
27
D
116.77
117.3
28
S
130.86
131.5
29
D
45.79
46.5
30
S
137.04
136.4
31
D
119.31
119.9
32
D
116.20
116.3
33
S
144.90
144.8
35
S
146.00
145.9
37
D
115.21
115.8
38
D
51.24
48.5
39
S
174.24
176.7
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
52.40
52.14
3
S
174.10
176.27
5
D
70.76
67.35
7
T
39.60
34.22
8
D
72.79
73.67
10
T
68.30
69.0
11
D
70.90
67.7
13
D
73.20
74.14
15
D
73.90
75.31
17
S
168.50
167.89
19
S
122.90
122.76
20
D
139.60
141.49
21
S
124.90
125.2
22
D
117.20
117.19
23
S
145.50
147.1
25
S
149.10
145.22
27
D
117.30
116.77
28
S
131.50
130.86
29
D
46.50
45.79
30
S
136.40
137.04
31
D
119.90
119.31
32
D
116.30
116.2
33
S
144.80
144.9
35
S
145.90
146.0
37
D
115.80
115.21
38
D
48.50
51.24
39
S
176.70
174.24
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