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

Product Name1,1'-Thiocarbonyldiimidazole

CAS 6160-65-2

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

Request For Quotation

1,1'-Thiocarbonyldiimidazole(6160-65-2) <sup>13</sup>C NMR
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

1,1'-Thiocarbonyldiimidazole(6160-65-2) <sup>13</sup>C NMR

¹H NMR	300 MHz
C₇ H₆ N₄ S	0.045 g : 0.5 ml CDCl₃
1,1'-(thiocarbonyl)diimidazole

    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