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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
95.2
94.95
95.5
2
S
164.0
163.7
164.25
3
D
100.0
99.8
100.4
4
S
162.5
162.25
163.2
5
S
103.0
102.85
103.75
6
S
155.2
154.85
155.75
7
S
178.5
178.2
178.5
8
S
97.6
97.3
97.6
9
S
164.8
164.8
164.8
11
S
113.9
113.5
113.9
12
S
150.5
150.15
150.5
14
D
121.5
121.2
121.5
15
D
114.0
113.8
114.0
16
S
156.7
156.45
156.7
17
D
99.0
98.8
99.0
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
94.95
95.2
95.5
2
S
163.70
164.0
164.25
3
D
99.80
100.0
100.4
4
S
162.25
162.5
163.2
5
S
102.85
103.0
103.75
6
S
154.85
155.2
155.75
7
S
178.20
178.5
178.5
8
S
97.30
97.6
97.6
9
S
164.80
164.8
164.8
11
S
113.50
113.9
113.9
12
S
150.15
150.5
150.5
14
D
121.20
121.5
121.5
15
D
113.80
114.0
114.0
16
S
156.45
156.7
156.7
17
D
98.80
99.0
99.0
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
95.50
95.2
94.95
2
S
164.25
164.0
163.7
3
D
100.40
100.0
99.8
4
S
163.20
162.5
162.25
5
S
103.75
103.0
102.85
6
S
155.75
155.2
154.85
7
S
178.50
178.5
178.2
8
S
97.60
97.6
97.3
9
S
164.80
164.8
164.8
11
S
113.90
113.9
113.5
12
S
150.50
150.5
150.15
14
D
121.50
121.5
121.2
15
D
114.00
114.0
113.8
16
S
156.70
156.7
156.45
17
D
99.00
99.0
98.8
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