Home
Current usage is:
Registered Users: 2391
Structures: 271631
Spectra: Measured 68119, 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  
 



Spectral Data   Additional Data   Download  
Type: 13C 125
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
1 T 33.3 30.8633.3
2 T 28.6 28.5228.6
3 T 33.9 31.7433.9
4 T 30.6 31.3830.6
5 T 20.9 21.9920.9
6 D 72.9 75.4472.9
7 S 37.9 37.9337.9
8 Q 20.1 20.3420.1
9 D 35.9 38.2535.9
10 S 76.4 76.5476.4
11 S 150.3 148.98150.3
12 T 104.7 108.19104.7
13 S 76.0 76.0876.0
14 T 64.5 65.9964.5
15 T 64.5 63.9964.5
22 S 171.1 170.4171.1
23 Q 21.4 21.6221.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 T 30.86 33.333.3
2 T 28.52 28.628.6
3 T 31.74 33.933.9
4 T 31.38 30.630.6
5 T 21.99 20.920.9
6 D 75.44 72.972.9
7 S 37.93 37.937.9
8 Q 20.34 20.120.1
9 D 38.25 35.935.9
10 S 76.54 76.476.4
11 S 148.98 150.3150.3
12 T 108.19 104.7104.7
13 S 76.08 76.076.0
14 T 65.99 64.564.5
15 T 63.99 64.564.5
22 S 170.40 171.1171.1
23 Q 21.62 21.421.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 T 33.3 33.330.86
2 T 28.6 28.628.52
3 T 33.9 33.931.74
4 T 30.6 30.631.38
5 T 20.9 20.921.99
6 D 72.9 72.975.44
7 S 37.9 37.937.93
8 Q 20.1 20.120.34
9 D 35.9 35.938.25
10 S 76.4 76.476.54
11 S 150.3 150.3148.98
12 T 104.7 104.7108.19
13 S 76.0 76.076.08
14 T 64.5 64.565.99
15 T 64.5 64.563.99
22 S 171.1 171.1170.4
23 Q 21.4 21.421.62






Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 44 users, 5170591 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.