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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
141.7
141.7
141.7
2
S
128.8
128.8
128.8
3
S
124.1
124.1
124.1
4
S
110.9
109.77
110.9
5
D
128.5
128.5
128.5
6
S
108.6
111.57
108.6
7
S
114.1
114.1
114.1
8
S
112.2
112.2
112.2
9
T
23.5
23.5
23.5
10
Q
62.8
62.8
62.8
11
Q
45.4
45.4
45.4
12
Q
66.9
66.9
66.9
13
T
60.2
60.2
60.2
14
Q
45.4
45.4
45.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
S
141.70
141.7
141.7
2
S
128.80
128.8
128.8
3
S
124.10
124.1
124.1
4
S
109.77
110.9
110.9
5
D
128.50
128.5
128.5
6
S
111.57
108.6
108.6
7
S
114.10
114.1
114.1
8
S
112.20
112.2
112.2
9
T
23.50
23.5
23.5
10
Q
62.80
62.8
62.8
11
Q
45.40
45.4
45.4
12
Q
66.90
66.9
66.9
13
T
60.20
60.2
60.2
14
Q
45.40
45.4
45.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
S
141.7
141.7
141.7
2
S
128.8
128.8
128.8
3
S
124.1
124.1
124.1
4
S
110.9
110.9
109.77
5
D
128.5
128.5
128.5
6
S
108.6
108.6
111.57
7
S
114.1
114.1
114.1
8
S
112.2
112.2
112.2
9
T
23.5
23.5
23.5
10
Q
62.8
62.8
62.8
11
Q
45.4
45.4
45.4
12
Q
66.9
66.9
66.9
13
T
60.2
60.2
60.2
14
Q
45.4
45.4
45.4
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