Current usage is:
Registered Users: 2392
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 some stereoconfiguration:
Spectral Data
Additional Data
Download
Type: 1H 600.0
Atom
Mult.(coupling const.)
Meas.
Shift
2-H
t (7.5,7.5);t
2.36
3-H
m (7.5,7.5,7.5);m (7.5)
1.63
4-H
m (7.5);m (7.5)
1.25
5-H
m;m
1.25
6-H
m;m
1.25
7-H
m;m
1.25
8-H
m;m
1.25
9-H
m;m
1.25
10-H
m;m
1.25
11-H
m;m
1.25
12-H
m;m
1.25
13-H
m (6.9);m
1.25
14-H
t (6.9);t;t
0.88
15-H
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1
S
179.36
174.7
2
T
34.40
33.8
3
T
24.80
25.63
4
T
29.19
29.52
5
T
29.49
29.62
6
T
29.62
29.7
7
T
29.56
29.62
8
T
29.27
29.42
9
T
29.00
29.07
10
T
29.00
29.04
11
T
29.34
28.72
12
T
31.89
32.04
13
T
22.63
22.15
14
Q
14.21
13.97
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1
S
174.70
179.36
2
T
33.80
34.4
3
T
25.63
24.8
4
T
29.52
29.19
5
T
29.62
29.49
6
T
29.70
29.62
7
T
29.62
29.56
8
T
29.42
29.27
9
T
29.07
29.0
10
T
29.04
29.0
11
T
28.72
29.34
12
T
32.04
31.89
13
T
22.15
22.63
14
Q
13.97
14.21
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 401 users, 5181642 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits