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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
122.5
122.5
122.5
2
D
109.0
109.0
109.0
3
S
160.1
159.34
160.1
4
D
94.5
94.5
94.5
5
S
134.5
141.35
134.5
6
S
114.8
114.72
114.8
8
S
131.2
135.18
133.2
9
S
127.1
128.03
127.5
10
S
142.0
141.4
143.0
12
D
137.5
137.5
137.22
13
D
112.0
112.0
112.47
15
Q
55.0
55.0
55.34
16
Q
20.0
20.0
19.22
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
122.50
122.5
122.5
2
D
109.00
109.0
109.0
3
S
159.34
160.1
160.1
4
D
94.50
94.5
94.5
5
S
141.35
134.5
134.5
6
S
114.72
114.8
114.8
8
S
135.18
131.2
133.2
9
S
128.03
127.1
127.5
10
S
141.40
142.0
143.0
12
D
137.50
137.5
137.22
13
D
112.00
112.0
112.47
15
Q
55.00
55.0
55.34
16
Q
20.00
20.0
19.22
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
122.50
122.5
122.5
2
D
109.00
109.0
109.0
3
S
160.10
160.1
159.34
4
D
94.50
94.5
94.5
5
S
134.50
134.5
141.35
6
S
114.80
114.8
114.72
8
S
133.20
131.2
135.18
9
S
127.50
127.1
128.03
10
S
143.00
142.0
141.4
12
D
137.22
137.5
137.5
13
D
112.47
112.0
112.0
15
Q
55.34
55.0
55.0
16
Q
19.22
20.0
20.0
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