Current usage is:
Registered Users: 2391
Structures: 271631
Spectra: Measured 68119, calculated 396582
Username:
Password:
Use cookies for persistant login
Create New Account
(Only necessary for
contributing data)
Forgot password?
Impressum
Problems using nmrshiftdb2?
See our
tips on browsers to use
!
Home
Search
Results
Quick Check
Predict
Assignment
Submit
Review
Help
Search Results
You did not do a search!
Bookmarks
You could bookmark structures if you were logged in!
Details
This molecule without stereoconfiguration:
This molecule with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
Q
13.50
13.5
3
S
172.90
169.3
6
T
66.50
66.2
7
S
143.23
145.5
8
D
132.20
132.4
9
D
76.00
75.3
11
D
43.50
42.4
12
S
108.82
108.4
13
S
175.80
169.7
16
D
151.90
154.6
18
D
100.69
101.3
20
D
100.60
99.83
22
D
76.60
76.29
23
T
62.60
61.13
25
D
72.30
73.1
27
S
168.10
166.56
29
S
109.69
109.08
30
D
156.20
153.82
32
D
99.54
101.3
34
D
100.80
99.5
36
D
78.66
78.14
37
T
62.69
62.0
39
D
71.49
69.67
41
D
78.00
77.79
43
D
74.91
74.39
45
D
46.50
46.2
46
S
143.14
145.5
47
T
66.39
66.2
49
S
172.90
169.3
52
Q
13.50
13.5
53
D
132.23
132.4
54
D
75.70
75.3
56
D
42.10
42.4
57
D
75.70
70.81
59
D
74.90
74.58
61
D
46.90
46.2
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
Q
13.50
13.5
3
S
169.30
172.9
6
T
66.20
66.5
7
S
145.50
143.23
8
D
132.40
132.2
9
D
75.30
76.0
11
D
42.40
43.5
12
S
108.40
108.82
13
S
169.70
175.8
16
D
154.60
151.9
18
D
101.30
100.69
20
D
99.83
100.6
22
D
76.29
76.6
23
T
61.13
62.6
25
D
73.10
72.3
27
S
166.56
168.1
29
S
109.08
109.69
30
D
153.82
156.2
32
D
101.30
99.54
34
D
99.50
100.8
36
D
78.14
78.66
37
T
62.00
62.69
39
D
69.67
71.49
41
D
77.79
78.0
43
D
74.39
74.91
45
D
46.20
46.5
46
S
145.50
143.14
47
T
66.20
66.39
49
S
169.30
172.9
52
Q
13.50
13.5
53
D
132.40
132.23
54
D
75.30
75.7
56
D
42.40
42.1
57
D
70.81
75.7
59
D
74.58
74.9
61
D
46.20
46.9
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 624 users, 5174746 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits