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Details
This molecule with other stereoconfigurations:
User input (2D)
Spectral Data
Additional Data
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Type: 13C 100.0
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Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
9
S
168.62
169.17
168.0
8
D
115.19
115.36
114.6
7'
S
177.03
179.51
180.6
7
D
146.79
146.77
147.7
6'
D
76.09
73.6
76.7
6
D
123.00
123.08
121.95
5'
D
71.22
71.5
70.25
5
D
116.43
116.54
116.28
4'
T
38.69
38.4
38.13
4
S
147.08
148.51
149.0
3'
S
73.38
76.91
71.9
3
S
149.58
145.71
145.74
2'
T
38.17
38.2
38.4
2
D
115.12
115.05
114.95
1'
D
71.95
71.97
72.65
1
S
127.74
127.49
127.63
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Spectral Data
Additional Data
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Type: 1H 500.0
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Atom
Mult.(coupling const.)
Meas.
Shift
25-H
24-H
23-H
22-H
10-H
9-H
8-H
6.38
7-H
7.70
6-H
6.98
6'-H
3.66
5-H
6.79
5'-H
4.14
4'-H
1.96, 2.13
2-H
7.09
2'-H
2.20, 2.17
1'-H
5.36
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Spectral Data
Additional Data
Download
Type: 13C
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Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
21
D
123.08
123.0
121.95
20
D
116.54
116.43
116.28
19
S
148.51
147.08
149.0
18
S
145.71
149.58
145.74
17
D
115.05
115.12
114.95
16
S
127.49
127.74
127.63
15
D
146.77
146.79
147.7
14
D
115.36
115.19
114.6
12
S
169.17
168.62
168.0
7
S
179.51
177.03
180.6
6
S
76.91
73.38
71.9
5
T
38.20
38.17
38.4
4
D
71.97
71.95
72.65
3
D
73.60
76.09
76.7
2
D
71.50
71.22
70.25
1
T
38.40
38.69
38.13
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Spectral Data
Additional Data
Download
Type: 13C
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Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
21
D
121.95
123.0
123.08
20
D
116.28
116.43
116.54
19
S
149.00
147.08
148.51
18
S
145.74
149.58
145.71
17
D
114.95
115.12
115.05
16
S
127.63
127.74
127.49
15
D
147.70
146.79
146.77
14
D
114.60
115.19
115.36
12
S
168.00
168.62
169.17
7
S
180.60
177.03
179.51
6
S
71.90
73.38
76.91
5
T
38.40
38.17
38.2
4
D
72.65
71.95
71.97
3
D
76.70
76.09
73.6
2
D
70.25
71.22
71.5
1
T
38.13
38.69
38.4
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