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Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
General
NMReDATA_chemie koeln_Classics in Spectroscopy/Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)
Spectral Data
Additional Data
Download
13C Spectrum
60003725 Rating: 9 (9: 9:
nmrshiftdb2 quality check: accept/reliability: excellent
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experimental section (format: berkessel.vm)
experimental section (format: griesbeck.vm)
experimental section (format: report.vm)
experimental section (format: schmalz.vm)
cml
NMReDATA
NMR Record
file
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
16
D
75.60
75.7
75.7
17
D
70.25
69.9
70.0
18
D
76.40
76.6
76.6
19
D
73.10
73.3
73.7
20
D
70.53
70.6
70.36
21
D
99.90
99.8
100.29
22
D
70.57
71.1
70.69
23
D
72.16
72.5
72.5
24
D
100.15
100.9
100.9
25
T
66.20
66.4
66.4
26
D
68.43
68.7
68.32
27
Q
17.80
18.2
18.2
28
S
165.20
163.3
163.3
29
D
95.80
95.9
95.9
30
S
162.50
162.8
162.8
31
D
96.70
96.8
96.8
32
S
103.50
103.6
103.6
33
D
78.40
78.8
78.8
34
T
42.00
42.3
42.3
35
S
163.00
165.4
165.4
36
S
196.70
197.4
197.4
37
S
131.20
131.0
131.0
38
D
114.30
114.2
114.2
39
D
117.80
118.0
118.0
40
S
146.45
146.1
146.1
41
D
112.25
112.0
112.0
42
S
147.90
148.0
148.0
43
Q
55.50
56.0
55.55
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
16
D
75.70
75.7
75.6
17
D
70.00
69.9
70.25
18
D
76.60
76.6
76.4
19
D
73.70
73.3
73.1
20
D
70.36
70.6
70.53
21
D
100.29
99.8
99.9
22
D
70.69
71.1
70.57
23
D
72.50
72.5
72.16
24
D
100.90
100.9
100.15
25
T
66.40
66.4
66.2
26
D
68.32
68.7
68.43
27
Q
18.20
18.2
17.8
28
S
163.30
163.3
165.2
29
D
95.90
95.9
95.8
30
S
162.80
162.8
162.5
31
D
96.80
96.8
96.7
32
S
103.60
103.6
103.5
33
D
78.80
78.8
78.4
34
T
42.30
42.3
42.0
35
S
165.40
165.4
163.0
36
S
197.40
197.4
196.7
37
S
131.00
131.0
131.2
38
D
114.20
114.2
114.3
39
D
118.00
118.0
117.8
40
S
146.10
146.1
146.45
41
D
112.00
112.0
112.25
42
S
148.00
148.0
147.9
43
Q
55.55
56.0
55.5
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