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Back ChemicalBook Home>CAS DataBase List>6160-65-2More Spectrum> 1,1'-Thiocarbonyldiimidazole(6160-65-2) 13C NMR

1,1'-Thiocarbonyldiimidazole(6160-65-2) 13C NMR

Molecular FormulaC7H6N4S

Molecular Weight178.21

InChIInChI=1S/C7H6N4S/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H

InChIKey RAFNCPHFRHZCPS-UHFFFAOYSA-N

SmilesC(N1C=NC=C1)(N1C=NC=C1)=S


  • Mass

    MS-NW-6726          
    1,1'-(thiocarbonyl)diimidazole
    C7H6N4S             (Mass of molecular ion:    178)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          13.0       1.0
          14.0       2.3
          26.0       1.1
          27.0       2.2
          28.0      14.9
          34.0       1.6
          38.0       4.1
          39.0       6.0
          40.0      25.4
          41.0      55.9
          42.0       2.5
          67.0       9.2
          68.0     100.0
          69.0       4.3
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C7 H6 N4 S 0.045 g : 0.5 ml CDCl3
    1,1'-(thiocarbonyl)diimidazole
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.139 D(B) 7.547 D(C) 7.193 J(A,B) 1.30 J(A,C) 0.88 J(B,C) 1.72

         Hz     ppm     Int.
    

       2442.76   8.143    724
       2441.67   8.139   1000
       2440.65   8.135    734
       2265.61   7.552    650
       2264.05   7.547    947
       2262.62   7.542    662
       2159.18   7.197    716
       2158.31   7.194    793
       2157.48   7.192    780
       2156.62   7.189    694
    

in CDCl3



KBr disc



nujol mull





1,1'-Thiocarbonyldiimidazole(6160-65-2) 13C NMR Atlas of Related Products

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