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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
8
S
103.9
103.9
103.9
7
D
123.1
123.1
123.1
6
S
125.9
125.9
125.9
5
S
136.3
136.3
136.3
4
D
111.2
111.2
111.2
3
D
122.5
122.5
120.24
2
D
117.9
117.9
117.9
1
D
120.9
120.0
120.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
10
S
118.50
118.5
9
T
14.72
14.7
8
S
103.90
103.9
103.9
7
D
123.10
123.1
123.1
6
S
125.90
125.9
125.9
5
S
136.30
136.3
136.3
4
D
111.20
111.2
111.2
3
D
122.50
122.5
120.24
2
D
117.90
117.9
117.9
1
D
120.00
120.9
120.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
10
S
118.50
118.5
9
T
14.70
14.72
8
S
103.90
103.9
103.9
7
D
123.10
123.1
123.1
6
S
125.90
125.9
125.9
5
S
136.30
136.3
136.3
4
D
111.20
111.2
111.2
3
D
120.24
122.5
122.5
2
D
117.90
117.9
117.9
1
D
120.90
120.9
120.0
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