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Details
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
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Type: 13C 100.0
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
S
127.74
127.49
127.63
1'
D
71.95
71.97
72.65
2
D
115.12
115.05
114.95
2'
T
38.17
38.2
38.4
3
S
149.58
145.71
145.74
3'
S
73.38
76.91
71.9
4
S
147.08
148.51
149.0
4'
T
38.69
38.4
38.13
5
D
116.43
116.54
116.28
5'
D
71.22
71.5
70.25
6
D
123.00
123.08
121.95
6'
D
76.09
73.6
76.7
7
D
146.79
146.77
147.7
7'
S
177.03
179.51
180.6
8
D
115.19
115.36
114.6
9
S
168.62
169.17
168.0
Spectral Data
Additional Data
Download
1H Spectrum
60006158 Rating: 7 (7: 7:
nmrshiftdb2 quality check: accept/reliability: excellent
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NMReDATA
NMR Record
file
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1
T
38.40
38.69
38.13
2
D
71.50
71.22
70.25
3
D
73.60
76.09
76.7
4
D
71.97
71.95
72.65
5
T
38.20
38.17
38.4
6
S
76.91
73.38
71.9
7
S
179.51
177.03
180.6
12
S
169.17
168.62
168.0
14
D
115.36
115.19
114.6
15
D
146.77
146.79
147.7
16
S
127.49
127.74
127.63
17
D
115.05
115.12
114.95
18
S
145.71
149.58
145.74
19
S
148.51
147.08
149.0
20
D
116.54
116.43
116.28
21
D
123.08
123.0
121.95
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1
T
38.13
38.69
38.4
2
D
70.25
71.22
71.5
3
D
76.70
76.09
73.6
4
D
72.65
71.95
71.97
5
T
38.40
38.17
38.2
6
S
71.90
73.38
76.91
7
S
180.60
177.03
179.51
12
S
168.00
168.62
169.17
14
D
114.60
115.19
115.36
15
D
147.70
146.79
146.77
16
S
127.63
127.74
127.49
17
D
114.95
115.12
115.05
18
S
145.74
149.58
145.71
19
S
149.00
147.08
148.51
20
D
116.28
116.43
116.54
21
D
121.95
123.0
123.08
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