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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
S
167.31
166.99
167.31
2
S
140.05
138.31
140.05
3
S
122.77
126.93
122.77
4
S
107.46
103.35
107.46
5
S
129.03
129.22
129.03
6
D
127.57
130.08
127.57
7
D
129.05
127.95
129.05
8
D
129.32
128.77
129.32
9
D
129.05
127.95
129.05
10
D
127.57
130.08
127.57
11
Q
50.02
51.42
50.02
12
T
43.83
47.1
43.83
13
S
193.83
195.24
193.83
14
S
136.85
137.26
136.85
15
D
128.19
128.16
128.19
16
D
128.57
128.61
128.57
17
D
133.40
133.7
133.5
18
D
128.57
128.61
128.57
19
D
128.19
128.16
128.19
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
Prediction 1
hose_lotusv7
1
S
166.99
167.31
167.31
2
S
138.31
140.05
140.05
3
S
126.93
122.77
122.77
4
S
103.35
107.46
107.46
5
S
129.22
129.03
129.03
6
D
130.08
127.57
127.57
7
D
127.95
129.05
129.05
8
D
128.77
129.32
129.32
9
D
127.95
129.05
129.05
10
D
130.08
127.57
127.57
11
Q
51.42
50.02
50.02
12
T
47.10
43.83
43.83
13
S
195.24
193.83
193.83
14
S
137.26
136.85
136.85
15
D
128.16
128.19
128.19
16
D
128.61
128.57
128.57
17
D
133.70
133.4
133.5
18
D
128.61
128.57
128.57
19
D
128.16
128.19
128.19
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
Prediction 1
acd_lotusv7
1
S
167.31
167.31
166.99
2
S
140.05
140.05
138.31
3
S
122.77
122.77
126.93
4
S
107.46
107.46
103.35
5
S
129.03
129.03
129.22
6
D
127.57
127.57
130.08
7
D
129.05
129.05
127.95
8
D
129.32
129.32
128.77
9
D
129.05
129.05
127.95
10
D
127.57
127.57
130.08
11
Q
50.02
50.02
51.42
12
T
43.83
43.83
47.1
13
S
193.83
193.83
195.24
14
S
136.85
136.85
137.26
15
D
128.19
128.19
128.16
16
D
128.57
128.57
128.61
17
D
133.50
133.4
133.7
18
D
128.57
128.57
128.61
19
D
128.19
128.19
128.16
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