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 with other stereoconfigurations:
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
3-H
6-H
3.43 (H 34)
7-H
8-H
1.92
9-H
10-H
11-H
12-H
13-H
2.74
14-H
0.82
15-H
3.91
16-H
2.50
17-H
5.57
19-H
1.03
20-H
0.98
21-H
22-H
2.10
23-H
2.62
26-H
27-H
28-H
1.74
31-H
0.95
32-H
33-H
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
S
45.5
45.28
2
S
49.1
48.83
3
D
48.1
47.69
4
S
20.8
23.43
5
S
30.3
24.6
6
D
38.8
49.63
7
T
23.4
23.63
8
T
28.2
26.79
9
D
52.5
52.41
10
T
25.9
27.72
11
T
35.8
34.61
12
T
33.2
34.08
13
T
26.2
26.43
14
T
29.7
29.73
15
D
72.5
76.48
16
T
37.7
35.41
17
D
70.7
74.14
18
S
55.7
49.11
19
Q
18.3
18.11
20
Q
19.4
19.28
21
D
36.0
36.19
22
T
32.1
31.94
23
T
32.0
31.69
24
S
176.5
175.83
28
Q
9.7
22.75
29
S
180.0
182.22
31
Q
18.1
18.86
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
S
45.28
45.5
2
S
48.83
49.1
3
D
47.69
48.1
4
S
23.43
20.8
5
S
24.60
30.3
6
D
49.63
38.8
7
T
23.63
23.4
8
T
26.79
28.2
9
D
52.41
52.5
10
T
27.72
25.9
11
T
34.61
35.8
12
T
34.08
33.2
13
T
26.43
26.2
14
T
29.73
29.7
15
D
76.48
72.5
16
T
35.41
37.7
17
D
74.14
70.7
18
S
49.11
55.7
19
Q
18.11
18.3
20
Q
19.28
19.4
21
D
36.19
36.0
22
T
31.94
32.1
23
T
31.69
32.0
24
S
175.83
176.5
28
Q
22.75
9.7
29
S
182.22
180.0
31
Q
18.86
18.1
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 676 users, 5171223 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits