Current usage is:
Registered Users: 2379
Structures: 271629
Spectra: Measured 68116, 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
Spectral Data
Additional Data
Download
Type: 13C 125
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
T
39.7
40.78
39.7
2
D
71.4
73.23
71.4
4
S
87.8
89.47
87.8
5
D
35.7
40.24
35.7
6
T
30.2
30.34
30.2
7
T
28.6
28.61
28.6
8
S
45.3
46.5
45.3
10
T
31.8
31.57
31.8
11
S
81.5
81.63
81.5
12
T
34.8
35.67
34.8
13
S
217.9
217.83
217.9
14
Q
26.9
25.51
23.7
15
Q
20.5
20.81
23.7
17
Q
18.2
17.83
18.2
18
S
48.9
47.89
48.9
19
Q
15.2
19.28
15.2
20
T
27.5
26.43
27.5
21
T
28.7
28.32
28.7
22
S
48.6
48.86
48.6
23
Q
19.7
18.7
19.7
24
Q
15.9
15.75
15.9
25
T
31.2
31.3
31.2
27
T
35.6
36.51
35.6
28
S
82.5
83.06
82.5
29
S
215.0
216.37
215.0
30
Q
22.2
25.15
24.2
31
Q
26.2
22.95
24.2
34
D
76.5
77.7
76.5
36
D
87.5
84.56
87.5
38
D
82.0
81.15
82.0
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1
T
40.78
39.7
39.7
2
D
73.23
71.4
71.4
4
S
89.47
87.8
87.8
5
D
40.24
35.7
35.7
6
T
30.34
30.2
30.2
7
T
28.61
28.6
28.6
8
S
46.50
45.3
45.3
10
T
31.57
31.8
31.8
11
S
81.63
81.5
81.5
12
T
35.67
34.8
34.8
13
S
217.83
217.9
217.9
14
Q
25.51
26.9
23.7
15
Q
20.81
20.5
23.7
17
Q
17.83
18.2
18.2
18
S
47.89
48.9
48.9
19
Q
19.28
15.2
15.2
20
T
26.43
27.5
27.5
21
T
28.32
28.7
28.7
22
S
48.86
48.6
48.6
23
Q
18.70
19.7
19.7
24
Q
15.75
15.9
15.9
25
T
31.30
31.2
31.2
27
T
36.51
35.6
35.6
28
S
83.06
82.5
82.5
29
S
216.37
215.0
215.0
30
Q
25.15
22.2
24.2
31
Q
22.95
26.2
24.2
34
D
77.70
76.5
76.5
36
D
84.56
87.5
87.5
38
D
81.15
82.0
82.0
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1
T
39.7
39.7
40.78
2
D
71.4
71.4
73.23
4
S
87.8
87.8
89.47
5
D
35.7
35.7
40.24
6
T
30.2
30.2
30.34
7
T
28.6
28.6
28.61
8
S
45.3
45.3
46.5
10
T
31.8
31.8
31.57
11
S
81.5
81.5
81.63
12
T
34.8
34.8
35.67
13
S
217.9
217.9
217.83
14
Q
23.7
26.9
25.51
15
Q
23.7
20.5
20.81
17
Q
18.2
18.2
17.83
18
S
48.9
48.9
47.89
19
Q
15.2
15.2
19.28
20
T
27.5
27.5
26.43
21
T
28.7
28.7
28.32
22
S
48.6
48.6
48.86
23
Q
19.7
19.7
18.7
24
Q
15.9
15.9
15.75
25
T
31.2
31.2
31.3
27
T
35.6
35.6
36.51
28
S
82.5
82.5
83.06
29
S
215.0
215.0
216.37
30
Q
24.2
22.2
25.15
31
Q
24.2
26.2
22.95
34
D
76.5
76.5
77.7
36
D
87.5
87.5
84.56
38
D
82.0
82.0
81.15
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 577 users, 5150468 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits