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Details
Spectral Data
Additional Data
Download
Type: 13C 100
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
S
158.3
158.3
158.3
2
D
104.7
104.7
104.7
3
D
128.6
128.6
128.6
4
S
114.0
114.0
114.0
5
S
113.6
113.6
113.6
6
S
154.4
158.2
154.4
7
T
34.9
34.9
34.9
8
D
67.6
67.6
67.6
9
D
80.1
80.1
80.1
10
S
132.1
132.1
132.1
11
D
129.5
129.5
129.5
12
D
116.2
116.2
116.2
13
S
158.2
154.4
158.7
14
D
116.2
116.2
116.2
15
D
129.5
129.5
129.5
16
Q
9.2
9.2
9.2
17
Q
56.6
56.6
55.83
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1
S
158.3
158.3
158.3
2
D
104.7
104.7
104.7
3
D
128.6
128.6
128.6
4
S
114.0
114.0
114.0
5
S
113.6
113.6
113.6
6
S
158.2
154.4
154.4
7
T
34.9
34.9
34.9
8
D
67.6
67.6
67.6
9
D
80.1
80.1
80.1
10
S
132.1
132.1
132.1
11
D
129.5
129.5
129.5
12
D
116.2
116.2
116.2
13
S
154.4
158.2
158.7
14
D
116.2
116.2
116.2
15
D
129.5
129.5
129.5
16
Q
9.2
9.2
9.2
17
Q
56.6
56.6
55.83
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1
S
158.30
158.3
158.3
2
D
104.70
104.7
104.7
3
D
128.60
128.6
128.6
4
S
114.00
114.0
114.0
5
S
113.60
113.6
113.6
6
S
154.40
154.4
158.2
7
T
34.90
34.9
34.9
8
D
67.60
67.6
67.6
9
D
80.10
80.1
80.1
10
S
132.10
132.1
132.1
11
D
129.50
129.5
129.5
12
D
116.20
116.2
116.2
13
S
158.70
158.2
154.4
14
D
116.20
116.2
116.2
15
D
129.50
129.5
129.5
16
Q
9.20
9.2
9.2
17
Q
55.83
56.6
56.6
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