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  
 

This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


General   NMReDATA_chemie koeln_Classics in Spectroscopy/Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)  
Spectral Data   Additional Data   Download  
Type: 13C 100.0
Atom
Mult.(coupling const.)
Meas.
Shift
Prediction 0
acd_lotusv7
Prediction 1
hose_lotusv7
6''' Q 18.2 17.818.2
3 T 42.3 42.042.3
4'-OCH3 Q 56.0 55.555.55
6'' T 66.4 66.266.4
5''' D 68.7 68.4368.32
4'' D 69.9 70.2570.0
2''' D 70.6 70.5370.36
3''' D 71.1 70.5770.69
4''' D 72.5 72.1672.5
2'' D 73.3 73.173.7
5'' D 75.7 75.675.7
3'' D 76.6 76.476.6
2 D 78.8 78.478.8
8 D 95.9 95.895.9
6 D 96.8 96.796.8
1''' D 99.8 99.9100.29
1'' D 100.9 100.15100.9
10 S 103.6 103.5103.6
5' D 112.0 112.25112.0
2' D 114.2 114.3114.2
6' D 118.0 117.8118.0
1' S 131.0 131.2131.0
3' S 146.1 146.45146.1
4' S 148.0 147.9148.0
9 S 162.8 162.5162.8
7 S 163.3 165.2163.3
5 S 165.4 163.0165.4
4 S 197.4 196.7197.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
27 Q 17.80 18.218.2
34 T 42.00 42.342.3
43 Q 55.50 56.055.55
25 T 66.20 66.466.4
26 D 68.43 68.768.32
17 D 70.25 69.970.0
20 D 70.53 70.670.36
22 D 70.57 71.170.69
23 D 72.16 72.572.5
19 D 73.10 73.373.7
16 D 75.60 75.775.7
18 D 76.40 76.676.6
33 D 78.40 78.878.8
29 D 95.80 95.995.9
31 D 96.70 96.896.8
21 D 99.90 99.8100.29
24 D 100.15 100.9100.9
32 S 103.50 103.6103.6
41 D 112.25 112.0112.0
38 D 114.30 114.2114.2
39 D 117.80 118.0118.0
37 S 131.20 131.0131.0
40 S 146.45 146.1146.1
42 S 147.90 148.0148.0
30 S 162.50 162.8162.8
35 S 163.00 165.4165.4
28 S 165.20 163.3163.3
36 S 196.70 197.4197.4





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
27 Q 18.20 18.217.8
34 T 42.30 42.342.0
43 Q 55.55 56.055.5
25 T 66.40 66.466.2
26 D 68.32 68.768.43
17 D 70.00 69.970.25
20 D 70.36 70.670.53
22 D 70.69 71.170.57
23 D 72.50 72.572.16
19 D 73.70 73.373.1
16 D 75.70 75.775.6
18 D 76.60 76.676.4
33 D 78.80 78.878.4
29 D 95.90 95.995.8
31 D 96.80 96.896.7
21 D 100.29 99.899.9
24 D 100.90 100.9100.15
32 S 103.60 103.6103.5
41 D 112.00 112.0112.25
38 D 114.20 114.2114.3
39 D 118.00 118.0117.8
37 S 131.00 131.0131.2
40 S 146.10 146.1146.45
42 S 148.00 148.0147.9
30 S 162.80 162.8162.5
28 S 163.30 163.3165.2
35 S 165.40 165.4163.0
36 S 197.40 197.4196.7






Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 245 users, 5170792 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.