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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
1
D
110.7
111.55
110.7
2
S
153.4
152.4
153.4
3
S
151.7
152.57
151.7
4
S
106.1
108.38
106.1
5
S
119.0
119.22
119.0
7
S
142.5
143.03
142.5
8
D
141.9
142.3
141.9
9
S
119.0
119.5
119.0
10
S
181.7
181.54
181.7
11
S
134.5
135.33
134.5
12
S
129.8
130.4
129.8
13
D
107.1
108.31
107.1
14
S
160.6
161.0
160.95
15
D
121.3
121.5
121.1
16
D
126.6
123.1
126.6
17
Q
55.7
55.8
55.72
18
Q
55.7
55.43
55.7
19
Q
34.0
34.81
34.0
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
111.55
110.7
110.7
2
S
152.40
153.4
153.4
3
S
152.57
151.7
151.7
4
S
108.38
106.1
106.1
5
S
119.22
119.0
119.0
6
S
130.06
135.65
7
S
143.03
142.5
142.5
8
D
142.30
141.9
141.9
9
D
119.50
119.0
119.0
10
S
181.54
181.7
181.7
11
S
135.33
134.5
134.5
12
S
130.40
129.8
129.8
13
D
108.31
107.1
107.1
14
S
161.00
160.6
160.95
15
D
121.50
121.3
121.1
16
D
123.10
126.6
126.6
17
Q
55.80
55.7
55.72
18
Q
55.43
55.7
55.7
19
Q
34.81
34.0
34.0
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
110.70
110.7
111.55
2
S
153.40
153.4
152.4
3
S
151.70
151.7
152.57
4
S
106.10
106.1
108.38
5
D
119.00
119.0
119.22
6
S
135.65
130.06
7
S
142.50
142.5
143.03
8
D
141.90
141.9
142.3
9
D
119.00
119.0
119.5
10
S
181.70
181.7
181.54
11
S
134.50
134.5
135.33
12
S
129.80
129.8
130.4
13
D
107.10
107.1
108.31
14
S
160.95
160.6
161.0
15
D
121.10
121.3
121.5
16
D
126.60
126.6
123.1
17
Q
55.72
55.7
55.8
18
Q
55.70
55.7
55.43
19
Q
34.00
34.0
34.81
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