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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
126.3
126.3
126.3
2
D
130.4
130.4
130.4
3
D
114.2
114.2
114.2
4
S
158.7
158.7
158.65
5
D
114.2
114.2
114.2
6
D
130.4
130.4
130.4
7
T
50.1
50.1
50.1
8
Q
55.3
55.3
56.57
9
S
207.0
207.0
207.0
10
Q
29.2
29.2
29.23
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
S
126.3
126.3
126.3
2
D
130.4
130.4
130.4
3
D
114.2
114.2
114.2
4
S
158.7
158.7
158.65
5
D
114.2
114.2
114.2
6
D
130.4
130.4
130.4
7
T
50.1
50.1
50.1
8
Q
55.3
55.3
56.57
9
S
207.0
207.0
207.0
10
Q
29.2
29.2
29.23
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
S
126.30
126.3
126.3
2
D
130.40
130.4
130.4
3
D
114.20
114.2
114.2
4
S
158.65
158.7
158.7
5
D
114.20
114.2
114.2
6
D
130.40
130.4
130.4
7
T
50.10
50.1
50.1
8
Q
56.57
55.3
55.3
9
S
207.00
207.0
207.0
10
Q
29.23
29.2
29.2
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