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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
129.9
130.99
129.9
2
D
119.0
120.16
119.07
3
D
135.5
137.0
135.93
4
D
117.5
118.44
117.53
5
S
161.7
162.63
161.7
6
S
112.7
113.97
112.7
7
T
61.4
61.67
61.4
8
S
170.2
170.6
170.2
9
Q
14.2
15.0
14.14
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
130.99
129.9
129.9
2
D
120.16
119.0
119.07
3
D
137.00
135.5
135.93
4
D
118.44
117.5
117.53
5
S
162.63
161.7
161.7
6
S
113.97
112.7
112.7
7
T
61.67
61.4
61.4
8
S
170.60
170.2
170.2
9
Q
15.00
14.2
14.14
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
129.90
129.9
130.99
2
D
119.07
119.0
120.16
3
D
135.93
135.5
137.0
4
D
117.53
117.5
118.44
5
S
161.70
161.7
162.63
6
S
112.70
112.7
113.97
7
T
61.40
61.4
61.67
8
S
170.20
170.2
170.6
9
Q
14.14
14.2
15.0
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