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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
S
164.2
163.5
164.2
2
D
106.1
106.1
106.1
3
S
166.5
165.29
166.5
4
D
107.6
107.6
107.6
5
S
143.2
133.2
143.2
6
S
109.5
109.5
109.5
7
S
183.0
182.51
183.0
8
S
133.2
143.2
133.2
9
S
146.7
146.7
146.7
10
S
187.4
187.9
187.4
11
T
30.6
30.6
30.6
12
D
68.6
68.6
68.6
13
D
69.8
69.8
69.8
14
Q
21.2
21.2
21.2
15
Q
21.2
21.2
21.2
16
Q
56.0
56.0
56.2
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
S
163.50
164.2
164.2
2
D
106.10
106.1
106.1
3
S
165.29
166.5
166.5
4
D
107.60
107.6
107.6
5
S
133.20
143.2
143.2
6
S
109.50
109.5
109.5
7
S
182.51
183.0
183.0
8
S
143.20
133.2
133.2
9
S
146.70
146.7
146.7
10
S
187.90
187.4
187.4
11
T
30.60
30.6
30.6
12
D
68.60
68.6
68.6
13
D
69.80
69.8
69.8
14
Q
21.20
21.2
21.2
15
Q
21.20
21.2
21.2
16
Q
56.00
56.0
56.2
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
S
164.2
164.2
163.5
2
D
106.1
106.1
106.1
3
S
166.5
166.5
165.29
4
D
107.6
107.6
107.6
5
S
143.2
143.2
133.2
6
S
109.5
109.5
109.5
7
S
183.0
183.0
182.51
8
S
133.2
133.2
143.2
9
S
146.7
146.7
146.7
10
S
187.4
187.4
187.9
11
T
30.6
30.6
30.6
12
D
68.6
68.6
68.6
13
D
69.8
69.8
69.8
14
Q
21.2
21.2
21.2
15
Q
21.2
21.2
21.2
16
Q
56.2
56.0
56.0
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