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Details
Spectral Data
Additional Data
Download
Type: 13C 100
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
D
113.7
113.7
113.64
2
D
121.4
121.4
121.4
3
D
124.9
124.9
124.9
4
S
149.0
149.0
149.0
5
S
145.8
145.8
145.8
6
Q
61.3
61.3
61.24
7
S
134.9
134.9
134.9
8
T
30.8
30.8
30.8
9
T
35.0
35.0
35.0
10
S
142.5
142.5
142.5
11
D
107.3
107.3
107.3
12
D
99.3
99.3
99.3
13
S
154.6
154.6
154.6
14
S
114.0
114.0
114.0
15
Q
10.4
10.4
10.4
16
S
158.2
158.2
158.2
17
Q
55.3
55.3
55.59
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1
D
113.7
113.7
113.64
2
D
121.4
121.4
121.4
3
D
124.9
124.9
124.9
4
S
149.0
149.0
149.0
5
S
145.8
145.8
145.8
6
Q
61.3
61.3
61.24
7
S
134.9
134.9
134.9
8
T
30.8
30.8
30.8
9
T
35.0
35.0
35.0
10
S
142.5
142.5
142.5
11
D
107.3
107.3
107.3
12
D
99.3
99.3
99.3
13
S
154.6
154.6
154.6
14
S
114.0
114.0
114.0
15
Q
10.4
10.4
10.4
16
S
158.2
158.2
158.2
17
Q
55.3
55.3
55.59
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1
D
113.64
113.7
113.7
2
D
121.40
121.4
121.4
3
D
124.90
124.9
124.9
4
S
149.00
149.0
149.0
5
S
145.80
145.8
145.8
6
Q
61.24
61.3
61.3
7
S
134.90
134.9
134.9
8
T
30.80
30.8
30.8
9
T
35.00
35.0
35.0
10
S
142.50
142.5
142.5
11
D
107.30
107.3
107.3
12
D
99.30
99.3
99.3
13
S
154.60
154.6
154.6
14
S
114.00
114.0
114.0
15
Q
10.40
10.4
10.4
16
S
158.20
158.2
158.2
17
Q
55.59
55.3
55.3
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