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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
5
S
136.1
136.0
136.12
6
S
127.1
127.1
127.1
3
D
121.6
121.33
120.24
8
D
121.4
121.27
121.4
2
D
118.6
118.53
119.22
1
D
118.3
118.37
118.43
9
S
113.3
113.4
113.3
4
D
111.0
110.95
111.2
11
T
60.1
60.2
60.1
14
Q
45.1
45.1
45.17
15
Q
45.1
45.1
45.17
10
T
23.4
23.65
23.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
5
S
136.00
136.1
136.12
6
S
127.10
127.1
127.1
3
D
121.33
121.6
120.24
8
D
121.27
121.4
121.4
2
D
118.53
118.6
119.22
1
D
118.37
118.3
118.43
9
S
113.40
113.3
113.3
4
D
110.95
111.0
111.2
11
T
60.20
60.1
60.1
14
Q
45.10
45.1
45.17
15
Q
45.10
45.1
45.17
10
T
23.65
23.4
23.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
5
S
136.12
136.1
136.0
6
S
127.10
127.1
127.1
8
D
121.40
121.4
121.27
3
D
120.24
121.6
121.33
2
D
119.22
118.6
118.53
1
D
118.43
118.3
118.37
9
S
113.30
113.3
113.4
4
D
111.20
111.0
110.95
11
T
60.10
60.1
60.2
14
Q
45.17
45.1
45.1
15
Q
45.17
45.1
45.1
10
T
23.40
23.4
23.65
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