Current usage is:
Registered Users: 2065
Structures: 243855
Spectra: Measured 418249, calculated 554
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 Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
D
118.3
118.37
118.43
2
D
118.6
118.53
119.22
3
D
121.6
121.33
120.24
4
D
111.0
110.95
111.2
5
S
136.1
136.0
136.12
6
S
127.1
127.1
127.1
8
D
121.4
121.27
121.4
9
S
113.3
113.4
113.3
10
T
23.4
23.65
23.4
11
T
60.1
60.2
60.1
14
Q
45.1
45.1
45.17
15
Q
45.1
45.1
45.17
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1
D
118.37
118.3
118.43
2
D
118.53
118.6
119.22
3
D
121.33
121.6
120.24
4
D
110.95
111.0
111.2
5
S
136.00
136.1
136.12
6
S
127.10
127.1
127.1
8
D
121.27
121.4
121.4
9
S
113.40
113.3
113.3
10
T
23.65
23.4
23.4
11
T
60.20
60.1
60.1
14
Q
45.10
45.1
45.17
15
Q
45.10
45.1
45.17
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1
D
118.43
118.3
118.37
2
D
119.22
118.6
118.53
3
D
120.24
121.6
121.33
4
D
111.20
111.0
110.95
5
S
136.12
136.1
136.0
6
S
127.10
127.1
127.1
8
D
121.40
121.4
121.27
9
S
113.30
113.3
113.4
10
T
23.40
23.4
23.65
11
T
60.10
60.1
60.2
14
Q
45.17
45.1
45.1
15
Q
45.17
45.1
45.1
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 91 users, 3988090 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits
