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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
156.3
157.93
156.3
2
D
103.9
102.98
103.9
3
D
130.3
137.33
130.3
4
D
103.9
102.98
103.9
5
S
156.3
157.93
156.3
6
S
114.4
114.34
114.4
7
S
167.0
168.64
167.0
8
Q
55.9
55.91
55.9
9
Q
55.9
55.91
55.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
S
157.93
156.3
156.3
2
D
102.98
103.9
103.9
3
D
137.33
130.3
130.3
4
D
102.98
103.9
103.9
5
S
157.93
156.3
156.3
6
S
114.34
114.4
114.4
7
S
168.64
167.0
167.0
8
Q
55.91
55.9
55.9
9
Q
55.91
55.9
55.9
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
S
156.3
156.3
157.93
2
D
103.9
103.9
102.98
3
D
130.3
130.3
137.33
4
D
103.9
103.9
102.98
5
S
156.3
156.3
157.93
6
S
114.4
114.4
114.34
7
S
167.0
167.0
168.64
8
Q
55.9
55.9
55.91
9
Q
55.9
55.9
55.91
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