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Details
Spectral Data
Additional Data
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Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
D
118.6
118.73
118.6
2
D
118.9
119.0
118.9
3
D
121.7
121.7
121.7
4
D
110.9
111.03
109.95
5
S
136.0
136.3
136.0
6
S
128.0
128.27
128.0
7
D
121.6
121.83
121.6
8
S
111.0
110.93
111.0
10
Q
9.4
9.4
9.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
118.73
118.6
118.6
2
D
119.00
118.9
118.9
3
D
121.70
121.7
121.7
4
D
111.03
110.9
109.95
5
S
136.30
136.0
136.0
6
S
128.27
128.0
128.0
7
D
121.83
121.6
121.6
8
S
110.93
111.0
111.0
10
Q
9.40
9.4
9.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
118.60
118.6
118.73
2
D
118.90
118.9
119.0
3
D
121.70
121.7
121.7
4
D
109.95
110.9
111.03
5
S
136.00
136.0
136.3
6
S
128.00
128.0
128.27
7
D
121.60
121.6
121.83
8
S
111.00
111.0
110.93
10
Q
9.40
9.4
9.4
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
7.571
2-H
7.116
3-H
7.174
4-H
7.249
7-H
6.853
9-H
7.600
10-H
2.313
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