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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
93.7
93.8
93.7
2
S
158.1
158.58
158.1
3
S
113.1
113.09
113.1
4
S
149.2
149.87
149.2
5
S
107.0
106.79
107.0
6
S
152.5
152.99
152.5
7
D
144.6
145.19
144.6
8
D
104.9
105.4
104.9
9
D
139.0
139.38
139.0
10
D
112.4
112.73
112.4
11
S
160.5
160.83
161.75
12
Q
60.0
60.47
60.0
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
93.80
93.7
93.7
2
S
158.58
158.1
158.1
3
S
113.09
113.1
113.1
4
S
149.87
149.2
149.2
5
S
106.79
107.0
107.0
6
S
152.99
152.5
152.5
7
D
145.19
144.6
144.6
8
D
105.40
104.9
104.9
9
D
139.38
139.0
139.0
10
D
112.73
112.4
112.4
11
S
160.83
160.5
161.75
12
Q
60.47
60.0
60.0
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
93.70
93.7
93.8
2
S
158.10
158.1
158.58
3
S
113.10
113.1
113.09
4
S
149.20
149.2
149.87
5
S
107.00
107.0
106.79
6
S
152.50
152.5
152.99
7
D
144.60
144.6
145.19
8
D
104.90
104.9
105.4
9
D
139.00
139.0
139.38
10
D
112.40
112.4
112.73
11
S
161.75
160.5
160.83
12
Q
60.00
60.0
60.47
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