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Details
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
2
S
146.8
3
S
106.3
36.83
38.7
4
S
119.9
157.03
159.38
5
S
139.5
6
D
122.5
140.95
136.41
7
D
118.8
105.81
139.27
8
D
125.7
130.27
121.45
9
D
110.5
125.4
123.73
11
S
147.1
130.92
133.06
12
S
128.6
115.15
123.91
13
S
134.1
154.25
154.99
15
S
159.8
169.92
152.2
17
S
190.5
121.97
144.47
21
Q
39.5
130.67
129.22
22
Q
39.5
114.5
115.46
24
S
128.2
25
D
133.4
114.5
115.46
26
D
114.9
130.67
129.22
27
S
164.8
141.66
136.41
28
D
114.9
29
D
133.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
Q
36.83
38.7
3
Q
36.83
106.3
38.7
4
S
157.03
119.9
159.38
6
S
140.95
122.5
136.41
7
S
105.81
118.8
139.27
8
S
130.27
125.7
121.45
9
D
125.40
110.5
123.73
10
D
119.69
121.97
11
D
130.92
147.1
133.06
12
D
115.15
128.6
123.91
13
S
154.25
134.1
154.99
15
S
169.92
159.8
152.2
17
S
121.97
190.5
144.47
21
D
130.67
39.5
129.22
22
D
114.50
39.5
115.46
23
S
162.91
162.59
25
D
114.50
133.4
115.46
26
D
130.67
114.9
129.22
27
S
141.66
164.8
136.41
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
Q
38.70
36.83
3
Q
38.70
106.3
36.83
4
S
159.38
119.9
157.03
6
S
136.41
122.5
140.95
7
S
139.27
118.8
105.81
8
S
121.45
125.7
130.27
9
D
123.73
110.5
125.4
10
D
121.97
119.69
11
D
133.06
147.1
130.92
12
D
123.91
128.6
115.15
13
S
154.99
134.1
154.25
15
S
152.20
159.8
169.92
17
S
144.47
190.5
121.97
21
D
129.22
39.5
130.67
22
D
115.46
39.5
114.5
23
S
162.59
162.91
25
D
115.46
133.4
114.5
26
D
129.22
114.9
130.67
27
S
136.41
164.8
141.66
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