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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
102.4
102.4
102.4
2
S
139.0
139.0
139.0
3
S
117.5
117.5
117.5
4
S
152.1
152.1
152.1
5
D
106.4
106.4
106.4
6
D
123.5
123.5
123.5
7
D
120.8
120.8
120.8
8
S
114.5
114.6
114.5
9
T
25.1
25.1
25.1
10
T
61.6
61.6
61.6
11
Q
45.3
45.3
45.17
12
Q
45.3
45.3
45.17
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
102.4
102.4
102.4
2
S
139.0
139.0
139.0
3
S
117.5
117.5
117.5
4
S
152.1
152.1
152.1
5
D
106.4
106.4
106.4
6
D
123.5
123.5
123.5
7
D
120.8
120.8
120.8
8
S
114.6
114.5
114.5
9
T
25.1
25.1
25.1
10
T
61.6
61.6
61.6
11
Q
45.3
45.3
45.17
12
Q
45.3
45.3
45.17
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
102.40
102.4
102.4
2
S
139.00
139.0
139.0
3
S
117.50
117.5
117.5
4
S
152.10
152.1
152.1
5
D
106.40
106.4
106.4
6
D
123.50
123.5
123.5
7
D
120.80
120.8
120.8
8
S
114.50
114.5
114.6
9
T
25.10
25.1
25.1
10
T
61.60
61.6
61.6
11
Q
45.17
45.3
45.3
12
Q
45.17
45.3
45.3
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