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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
124.4
124.4
124.4
2
S
116.6
116.4
116.6
3
S
153.5
153.5
153.5
4
D
92.5
92.5
92.5
5
S
170.0
170.4
170.0
6
S
178.3
178.3
178.3
7
S
124.9
124.9
124.9
8
T
19.7
19.7
19.7
9
T
51.2
51.2
51.2
10
D
124.0
124.0
124.0
11
Q
37.4
37.4
37.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
S
124.4
124.4
124.4
2
S
116.4
116.6
116.6
3
S
153.5
153.5
153.5
4
D
92.5
92.5
92.5
5
S
170.4
170.0
170.0
6
S
178.3
178.3
178.3
7
S
124.9
124.9
124.9
8
T
19.7
19.7
19.7
9
T
51.2
51.2
51.2
10
D
124.0
124.0
124.0
11
Q
37.4
37.4
37.4
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
S
124.4
124.4
124.4
2
S
116.6
116.6
116.4
3
S
153.5
153.5
153.5
4
D
92.5
92.5
92.5
5
S
170.0
170.0
170.4
6
S
178.3
178.3
178.3
7
S
124.9
124.9
124.9
8
T
19.7
19.7
19.7
9
T
51.2
51.2
51.2
10
D
124.0
124.0
124.0
11
Q
37.4
37.4
37.4
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