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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
126.5
126.5
126.5
2
D
113.9
113.9
113.9
3
S
155.8
155.8
154.25
4
S
120.6
120.6
120.6
5
S
139.2
139.2
139.2
6
S
127.3
127.3
127.3
7
T
26.2
26.2
26.2
8
T
26.6
26.6
26.6
9
S
138.5
138.5
138.5
10
S
135.2
135.2
135.2
11
D
123.1
123.1
123.1
12
D
122.9
122.9
122.9
13
S
138.7
138.7
138.7
14
S
136.5
136.5
136.5
15
Q
11.5
11.5
11.6
16
S
135.2
135.2
135.2
17
S
120.6
120.6
120.6
18
T
63.1
63.1
63.1
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
126.5
126.5
126.5
2
D
113.9
113.9
113.9
3
S
155.8
155.8
154.25
4
T
120.6
120.6
120.6
5
S
139.2
139.2
139.2
6
S
127.3
127.3
127.3
7
T
26.2
26.2
26.2
8
T
26.6
26.6
26.6
9
S
138.5
138.5
138.5
10
D
135.2
135.2
135.2
11
D
123.1
123.1
123.1
12
D
122.9
122.9
122.9
13
S
138.7
138.7
138.7
14
S
136.5
136.5
136.5
15
Q
11.5
11.5
11.6
16
D
135.2
135.2
135.2
17
T
120.6
120.6
120.6
18
T
63.1
63.1
63.1
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
126.50
126.5
126.5
2
D
113.90
113.9
113.9
3
S
154.25
155.8
155.8
4
T
120.60
120.6
120.6
5
S
139.20
139.2
139.2
6
S
127.30
127.3
127.3
7
T
26.20
26.2
26.2
8
T
26.60
26.6
26.6
9
S
138.50
138.5
138.5
10
D
135.20
135.2
135.2
11
D
123.10
123.1
123.1
12
D
122.90
122.9
122.9
13
S
138.70
138.7
138.7
14
S
136.50
136.5
136.5
15
Q
11.60
11.5
11.5
16
D
135.20
135.2
135.2
17
T
120.60
120.6
120.6
18
T
63.10
63.1
63.1
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