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Details
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv9
1
D
126.2
125.7
126.02
2
D
128.6
128.2
128.46
3
D
127.1
126.8
126.96
4
S
147.9
148.0
147.93
5
D
127.1
126.8
126.96
6
D
128.6
128.2
128.46
7
D
50.6
44.6
44.96
8
T
35.1
34.5
34.88
9
T
27.2
26.9
27.23
10
T
26.6
26.2
26.55
11
T
27.2
26.9
27.23
12
T
35.1
34.5
34.88
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
Prediction 1
acd_lotusv9
1
D
125.7
126.2
126.02
2
D
128.2
128.6
128.46
3
D
126.8
127.1
126.96
4
S
148.0
147.9
147.93
5
D
126.8
127.1
126.96
6
D
128.2
128.6
128.46
7
D
44.6
50.6
44.96
8
T
34.5
35.1
34.88
9
T
26.9
27.2
27.23
10
T
26.2
26.6
26.55
11
T
26.9
27.2
27.23
12
T
34.5
35.1
34.88
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
1
D
126.02
125.7
126.2
2
D
128.46
128.2
128.6
3
D
126.96
126.8
127.1
4
S
147.93
148.0
147.9
5
D
126.96
126.8
127.1
6
D
128.46
128.2
128.6
7
D
44.96
44.6
50.6
8
T
34.88
34.5
35.1
9
T
27.23
26.9
27.2
10
T
26.55
26.2
26.6
11
T
27.23
26.9
27.2
12
T
34.88
34.5
35.1
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
7.24
2-H
3-H
5-H
7.24
6-H
7.24
7-H
2.47
8-H
9-H
10-H
1.84, 1.33
11-H
1.84, 1.33
12-H
1.84, 1.33
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