Home
Current usage is:
Registered Users: 2390
Structures: 271630
Spectra: Measured 68118, calculated 396582
Username:
Password:
Use cookies for persistant login
ImpressumProblems 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: 13C 100.0 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 S 129.6 127.7129.6
2 S 119.9 119.7119.9
3 S 143.9 144.4143.9
4 S 149.2 149.9149.35
5 D 110.8 111.5110.8
6 D 118.7 119.5118.7
7 S 125.4 126.0125.4
8 T 38.1 36.038.1
9 D 53.8 53.653.8
10 S 130.0 128.3130.0
11 S 130.1 129.2130.1
13 T 42.5 41.642.5
14 T 29.0 26.829.0
15 S 141.8 142.8141.8
16 D 111.5 111.2111.5
17 S 151.2 152.5151.2
21 Q 55.7 56.0655.85
22 Q 61.9 61.962.0
23 Q 55.9 55.755.67

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 1H 400.0 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
5-H 6.78
6-H 6.73
8-H 2.50, 2.70
9-H 3.58
12-H
13-H 2.94, 3.27
14-H 2.86, 2.94
16-H 6.65
21-H 3.84
22-H 3.65
23-H 3.83
24-H

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 S 127.70 129.6129.6
2 S 119.70 119.9119.9
3 S 144.40 143.9143.9
4 S 149.90 149.2149.35
5 D 111.50 110.8110.8
6 D 119.50 118.7118.7
7 S 126.00 125.4125.4
8 T 36.00 38.138.1
9 D 53.60 53.853.8
10 S 128.30 130.0130.0
11 S 129.20 130.1130.1
13 T 41.60 42.542.5
14 T 26.80 29.029.0
15 S 142.80 141.8141.8
16 D 111.20 111.5111.5
17 S 152.50 151.2151.2
21 Q 56.06 55.755.85
22 Q 61.90 61.962.0
23 Q 55.70 55.955.67

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 S 129.60 129.6127.7
2 S 119.90 119.9119.7
3 S 143.90 143.9144.4
4 S 149.35 149.2149.9
5 D 110.80 110.8111.5
6 D 118.70 118.7119.5
7 S 125.40 125.4126.0
8 T 38.10 38.136.0
9 D 53.80 53.853.6
10 S 130.00 130.0128.3
11 S 130.10 130.1129.2
13 T 42.50 42.541.6
14 T 29.00 29.026.8
15 S 141.80 141.8142.8
16 D 111.50 111.5111.2
17 S 151.20 151.2152.5
21 Q 55.85 55.756.06
22 Q 62.00 61.961.9
23 Q 55.67 55.955.7

Double click upper part to get resizeable window!




Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 1390 users, 5167525 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.