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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
D
123.7
123.63
128.0
2
D
126.1
126.13
126.1
3
D
128.9
128.95
128.9
4
D
129.9
129.87
129.9
5
S
147.9
147.96
147.85
6
S
128.2
128.15
128.2
7
D
121.7
121.65
121.7
8
D
150.0
149.91
150.0
9
S
144.1
144.05
144.1
10
Q
18.5
18.4
18.5
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
123.63
123.7
128.0
2
D
126.13
126.1
126.1
3
D
128.95
128.9
128.9
4
D
129.87
129.9
129.9
5
S
147.96
147.9
147.85
6
S
128.15
128.2
128.2
7
D
121.65
121.7
121.7
8
D
149.91
150.0
150.0
9
S
144.05
144.1
144.1
10
Q
18.40
18.5
18.5
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
128.00
123.7
123.63
2
D
126.10
126.1
126.13
3
D
128.90
128.9
128.95
4
D
129.90
129.9
129.87
5
S
147.85
147.9
147.96
6
S
128.20
128.2
128.15
7
D
121.70
121.7
121.65
8
D
150.00
150.0
149.91
9
S
144.10
144.1
144.05
10
Q
18.50
18.5
18.4
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
7.985
2-H
7.559
3-H
7.705
4-H
8.110
7-H
7.215
8-H
8.775
10-H
2.691
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