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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
132.3
132.43
132.3
2
D
107.5
107.3
107.5
3
S
166.0
165.85
166.0
4
D
100.8
100.69
100.8
5
S
165.2
164.76
165.2
6
S
113.8
113.73
113.8
7
Q
26.2
26.17
26.05
8
S
202.5
202.59
202.5
9
Q
55.5
55.47
55.55
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
132.43
132.3
132.3
2
D
107.30
107.5
107.5
3
S
165.85
166.0
166.0
4
D
100.69
100.8
100.8
5
S
164.76
165.2
165.2
6
S
113.73
113.8
113.8
7
Q
26.17
26.2
26.05
8
S
202.59
202.5
202.5
9
Q
55.47
55.5
55.55
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
132.30
132.3
132.43
2
D
107.50
107.5
107.3
3
S
166.00
166.0
165.85
4
D
100.80
100.8
100.69
5
S
165.20
165.2
164.76
6
S
113.80
113.8
113.73
7
Q
26.05
26.2
26.17
8
S
202.50
202.5
202.59
9
Q
55.55
55.5
55.47
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