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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
99.7
2
D
124.4
164.82
158.9
3
S
155.7
4
S
128.0
133.86
139.8
5
S
121.9
118.82
114.55
6
S
138.9
131.11
123.33
7
S
124.2
135.12
137.92
8
D
121.2
9
D
112.4
140.62
140.44
10
D
126.2
112.18
111.82
11
D
119.4
127.32
127.56
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
2
S
164.82
124.4
158.9
4
D
133.86
128.0
139.8
5
D
118.82
121.9
114.55
6
S
131.11
138.9
123.33
7
S
135.12
124.2
137.92
9
S
140.62
112.4
140.44
10
D
112.18
126.2
111.82
11
D
127.32
119.4
127.56
12
D
119.73
120.02
13
D
121.42
121.6
14
S
118.66
120.65
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
2
S
158.90
124.4
164.82
4
D
139.80
128.0
133.86
5
D
114.55
121.9
118.82
6
S
123.33
138.9
131.11
7
S
137.92
124.2
135.12
9
S
140.44
112.4
140.62
10
D
111.82
126.2
112.18
11
D
127.56
119.4
127.32
12
D
120.02
119.73
13
D
121.60
121.42
14
S
120.65
118.66
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