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Details
Spectral Data
Additional Data
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Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
D
133.8
133.3
133.8
2
D
105.0
104.17
105.0
3
S
164.0
163.93
164.0
4
S
160.8
161.5
160.8
5
S
112.5
113.51
112.5
6
S
166.5
166.47
166.5
7
D
98.7
97.95
98.7
8
Q
55.4
55.51
55.54
9
Q
55.8
56.0
55.8
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
133.30
133.8
133.8
2
D
104.17
105.0
105.0
3
S
163.93
164.0
164.0
4
S
161.50
160.8
160.8
5
S
113.51
112.5
112.5
6
S
166.47
166.5
166.5
7
D
97.95
98.7
98.7
8
Q
55.51
55.4
55.54
9
Q
56.00
55.8
55.8
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
133.80
133.8
133.3
2
D
105.00
105.0
104.17
3
S
164.00
164.0
163.93
4
S
160.80
160.8
161.5
5
S
112.50
112.5
113.51
6
S
166.50
166.5
166.47
7
D
98.70
98.7
97.95
8
Q
55.54
55.4
55.51
9
Q
55.80
55.8
56.0
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