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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
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Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
hose_lotusv7
1
D
116.4
116.4
2
S
138.5
138.5
3
S
146.3
146.3
4
S
131.0
131.0
5
S
125.5
125.5
6
D
118.6
118.6
7
S
43.0
43.0
8
D
91.5
91.5
9
D
66.4
66.4
10
D
133.4
133.3
11
D
128.5
128.3
12
D
40.6
40.6
14
D
58.1
58.4
15
T
20.2
20.2
16
T
35.6
35.6
17
T
46.1
46.25
19
Q
42.8
42.85
Spectral Data
Additional Data
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Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
1
D
116.40
116.4
2
S
138.50
138.5
3
S
146.30
146.3
4
S
131.00
131.0
5
S
125.50
125.5
6
D
118.60
118.6
7
S
43.00
43.0
8
D
91.50
91.5
9
D
66.40
66.4
10
D
133.30
133.4
11
D
128.30
128.5
12
D
40.60
40.6
14
D
58.40
58.1
15
T
20.20
20.2
16
T
35.60
35.6
17
T
46.25
46.1
19
Q
42.85
42.8
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