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
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1
S
127.74
126.65
127.74
2
D
122.74
115.27
122.74
3
S
143.43
142.98
143.43
4
S
139.16
140.06
139.16
5
S
143.43
142.98
143.43
6
D
122.74
115.27
122.74
7
S
169.54
166.81
169.54
8
S
167.58
167.82
167.58
9
Q
20.51
20.22
20.51
10
S
166.39
167.39
166.39
11
Q
20.11
20.13
20.25
12
S
167.58
167.82
167.58
13
Q
20.51
20.22
20.51
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
Prediction 1
hose_lotusv7
1
S
126.65
127.74
127.74
2
D
115.27
122.74
122.74
3
S
142.98
143.43
143.43
4
S
140.06
139.16
139.16
5
S
142.98
143.43
143.43
6
D
115.27
122.74
122.74
7
S
166.81
169.54
169.54
8
S
167.82
167.58
167.58
9
Q
20.22
20.51
20.51
10
S
167.39
166.39
166.39
11
Q
20.13
20.11
20.25
12
S
167.82
167.58
167.58
13
Q
20.22
20.51
20.51
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse database
Prediction 1
acd_lotusv7
1
S
127.74
127.74
126.65
2
D
122.74
122.74
115.27
3
S
143.43
143.43
142.98
4
S
139.16
139.16
140.06
5
S
143.43
143.43
142.98
6
D
122.74
122.74
115.27
7
S
169.54
169.54
166.81
8
S
167.58
167.58
167.82
9
Q
20.51
20.51
20.22
10
S
166.39
166.39
167.39
11
Q
20.25
20.11
20.13
12
S
167.58
167.58
167.82
13
Q
20.51
20.51
20.22
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
2-H
7.84
6-H
7.84
9-H
2.27
11-H
2.28
13-H
2.27
15-H
11.0 (H 22)
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 460 users, 5179087 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits