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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
103.2
103.2
103.2
2
S
147.2
147.2
146.5
3
S
153.8
153.8
152.85
4
D
97.1
97.1
96.8
5
S
137.1
137.1
137.1
6
S
121.5
121.5
121.5
8
D
146.8
146.8
146.8
9
S
107.6
107.6
107.6
10
S
176.1
176.1
176.1
12
S
166.4
166.4
166.4
16
T
49.7
49.7
49.7
17
Q
14.4
14.4
14.35
20
T
102.0
102.0
102.2
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
103.2
103.2
103.2
2
S
147.2
147.2
146.5
3
S
153.8
153.8
152.85
4
D
97.1
97.1
96.8
5
S
137.1
137.1
137.1
6
S
121.5
121.5
121.5
8
D
146.8
146.8
146.8
9
S
107.6
107.6
107.6
10
S
176.1
176.1
176.1
12
S
166.4
166.4
166.4
16
T
49.7
49.7
49.7
17
Q
14.4
14.4
14.35
20
T
102.0
102.0
102.2
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
103.20
103.2
103.2
2
S
146.50
147.2
147.2
3
S
152.85
153.8
153.8
4
D
96.80
97.1
97.1
5
S
137.10
137.1
137.1
6
S
121.50
121.5
121.5
8
D
146.80
146.8
146.8
9
S
107.60
107.6
107.6
10
S
176.10
176.1
176.1
12
S
166.40
166.4
166.4
16
T
49.70
49.7
49.7
17
Q
14.35
14.4
14.4
20
T
102.20
102.0
102.0
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