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  
 



General   RUB/Chloroform-D1 (CDCl3)   sdbs/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
sdbs
expt-1
ocmainz inhouse-2
expt-2
RUB
Prediction 3
acd_lotusv7
Prediction 4
hose_lotusv7
3 D 30.3 30.2530.130.1730.1530.12
4 T 45.1 45.1144.745.1245.1545.27
5 S 137.8 140.93140.0140.85141.01140.43
6 S 140.8 137.02139.0137.02138.46138.01
7 D 45.0 45.0844.845.0145.144.91
8 Q 22.4 22.622.422.322.4
9 Q 22.4 22.4722.622.322.4
10 D 127.2 129.47129.4129.37129.27129.38
11 D 127.2 129.47129.4129.27129.38
12 D 129.3 127.3127.3127.38127.44127.34
13 D 129.3 127.3127.3127.44127.34
14 Q 18.0 18.1519.018.1318.118.57
15 S 181.3 181.35180.9180.85180.9180.88





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
sdbs
Prediction 1
expt-2
RUB
Prediction 3
acd_lotusv7
Prediction 4
hose_lotusv7
3 D 30.1 30.2530.330.1730.1530.12
4 T 44.7 45.1145.145.1245.1545.27
5 S 140.0 140.93137.8140.85141.01140.43
6 S 139.0 137.02140.8137.02138.46138.01
7 D 44.8 45.0845.045.0145.144.91
8 Q 22.6 22.422.422.322.4
9 Q 22.6 22.4722.422.322.4
10 D 129.4 129.47127.2129.37129.27129.38
11 D 129.4 129.47127.2129.27129.38
12 D 127.3 127.3129.3127.38127.44127.34
13 D 127.3 127.3129.3127.44127.34
14 Q 19.0 18.1518.018.1318.118.57
15 S 180.9 181.35181.3180.85180.9180.88





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
sdbs
Prediction 1
expt-2
ocmainz inhouse-2
expt-3
RUB
Prediction 4
hose_lotusv7
3 D 30.15 30.2530.330.130.1730.12
4 T 45.15 45.1145.144.745.1245.27
5 S 141.01 140.93137.8140.0140.85140.43
6 S 138.46 137.02140.8139.0137.02138.01
7 D 45.10 45.0845.044.845.0144.91
8 Q 22.30 22.422.622.422.4
9 Q 22.30 22.4722.422.622.4
10 D 129.27 129.47127.2129.4129.37129.38
11 D 129.27 129.47127.2129.4129.38
12 D 127.44 127.3129.3127.3127.38127.34
13 D 127.44 127.3129.3127.3127.34
14 Q 18.10 18.1518.019.018.1318.57
15 S 180.90 181.35181.3180.9180.85180.88





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
sdbs
Prediction 1
expt-2
ocmainz inhouse-2
expt-3
RUB
Prediction 4
acd_lotusv7
3 D 30.12 30.2530.330.130.1730.15
4 T 45.27 45.1145.144.745.1245.15
5 S 140.43 140.93137.8140.0140.85141.01
6 S 138.01 137.02140.8139.0137.02138.46
7 D 44.91 45.0845.044.845.0145.1
8 Q 22.40 22.422.622.422.3
9 Q 22.40 22.4722.422.622.3
10 D 129.38 129.47127.2129.4129.37129.27
11 D 129.38 129.47127.2129.4129.27
12 D 127.34 127.3129.3127.3127.38127.44
13 D 127.34 127.3129.3127.3127.44
14 Q 18.57 18.1518.019.018.1318.1
15 S 180.88 181.35181.3180.9180.85180.9






Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 1167 users, 5173245 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.