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Details
This molecule with some stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
2
S
166.80
164.58
4
S
128.18
137.23
5
S
151.56
152.36
7
D
107.25
114.75
8
S
133.80
135.94
9
D
79.62
88.1
11
S
156.80
156.3
12
D
95.60
95.6
13
S
157.40
158.1
15
D
96.20
96.1
16
S
157.40
157.2
18
S
99.60
100.6
19
T
28.80
28.5
20
D
66.81
68.8
22
D
107.25
114.75
23
S
151.56
152.36
25
S
120.70
124.0
26
D
110.90
109.48
27
S
146.70
145.34
29
S
141.30
139.9
31
S
146.70
145.34
33
D
110.90
109.48
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
2
S
164.58
166.8
4
S
137.23
128.18
5
S
152.36
151.56
7
D
114.75
107.25
8
S
135.94
133.8
9
D
88.10
79.62
11
S
156.30
156.8
12
D
95.60
95.6
13
S
158.10
157.4
15
D
96.10
96.2
16
S
157.20
157.4
18
S
100.60
99.6
19
T
28.50
28.8
20
D
68.80
66.81
22
D
114.75
107.25
23
S
152.36
151.56
25
S
124.00
120.7
26
D
109.48
110.9
27
S
145.34
146.7
29
S
139.90
141.3
31
S
145.34
146.7
33
D
109.48
110.9
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