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Details
This molecule with some stereoconfiguration:
General
NMReDATA_chemie koeln_Classics in Spectroscopy/Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
D
104.0
109.22
104.0
2
S
152.3
147.43
152.3
3
S
179.3
183.32
179.3
4
D
117.5
124.97
117.5
5
S
158.9
150.83
158.9
6
S
126.0
127.44
126.0
7
T
39.2
36.49
39.2
8
S
74.2
79.45
74.2
9
S
151.5
155.58
151.5
10
S
110.9
114.49
110.9
11
T
72.9
72.73
72.9
12
S
157.7
157.8
157.7
13
D
130.5
130.11
130.5
14
D
102.8
102.41
102.8
15
S
162.1
163.05
162.1
16
D
110.8
109.71
110.8
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
109.22
104.0
104.0
2
S
147.43
152.3
152.3
3
S
183.32
179.3
179.3
4
D
124.97
117.5
117.5
5
S
150.83
158.9
158.9
6
S
127.44
126.0
126.0
7
T
36.49
39.2
39.2
8
S
79.45
74.2
74.2
9
S
155.58
151.5
151.5
10
S
114.49
110.9
110.9
11
T
72.73
72.9
72.9
12
S
157.80
157.7
157.7
13
D
130.11
130.5
130.5
14
D
102.41
102.8
102.8
15
S
163.05
162.1
162.1
16
D
109.71
110.8
110.8
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
104.0
104.0
109.22
2
S
152.3
152.3
147.43
3
S
179.3
179.3
183.32
4
D
117.5
117.5
124.97
5
S
158.9
158.9
150.83
6
S
126.0
126.0
127.44
7
T
39.2
39.2
36.49
8
S
74.2
74.2
79.45
9
S
151.5
151.5
155.58
10
S
110.9
110.9
114.49
11
T
72.9
72.9
72.73
12
S
157.7
157.7
157.8
13
D
130.5
130.5
130.11
14
D
102.8
102.8
102.41
15
S
162.1
162.1
163.05
16
D
110.8
110.8
109.71
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