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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
150.6
150.6
150.6
2
D
122.4
122.4
122.4
3
D
122.2
127.65
122.2
4
D
122.4
122.4
122.4
5
S
150.6
150.6
150.6
6
D
127.6
121.69
127.6
7
S
34.8
34.8
34.8
8
Q
31.5
31.5
31.5
9
Q
31.5
31.5
31.5
10
Q
31.5
31.5
31.5
11
S
34.8
34.8
34.8
12
Q
31.5
31.5
31.5
13
Q
31.5
31.5
31.5
14
Q
31.5
31.5
31.5
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1
S
150.60
150.6
150.6
2
D
122.40
122.4
122.4
3
D
127.65
122.2
122.2
4
D
122.40
122.4
122.4
5
S
150.60
150.6
150.6
6
D
121.69
127.6
127.6
7
S
34.80
34.8
34.8
8
Q
31.50
31.5
31.5
9
Q
31.50
31.5
31.5
10
Q
31.50
31.5
31.5
11
S
34.80
34.8
34.8
12
Q
31.50
31.5
31.5
13
Q
31.50
31.5
31.5
14
Q
31.50
31.5
31.5
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1
S
150.6
150.6
150.6
2
D
122.4
122.4
122.4
3
D
122.2
122.2
127.65
4
D
122.4
122.4
122.4
5
S
150.6
150.6
150.6
6
D
127.6
127.6
121.69
7
S
34.8
34.8
34.8
8
Q
31.5
31.5
31.5
9
Q
31.5
31.5
31.5
10
Q
31.5
31.5
31.5
11
S
34.8
34.8
34.8
12
Q
31.5
31.5
31.5
13
Q
31.5
31.5
31.5
14
Q
31.5
31.5
31.5
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