29540-81-6

1-(Trifluoromethanesulfonyl)imidazole(29540-81-6) MS

Product Name1-(Trifluoromethanesulfonyl)imidazole

CAS 29540-81-6

Molecular FormulaC4H3F3N2O2S

Molecular Weight200.14

InChIInChI=1S/C4H3F3N2O2S/c5-4(6,7)12(10,11)9-2-1-8-3-9/h1-3H

InChIKey YGABUCCNCBMODG-UHFFFAOYSA-N

SmilesC1N(S(C(F)(F)F)(=O)=O)C=CN=1

Request For Quotation

¹HNMR

¹³CNMR

IR1

1-(Trifluoromethanesulfonyl)imidazole(29540-81-6) MS
Mass

MS-IW-9013          
1-((trifluoromethyl)sulfonyl)imidazole
C4H3F3N2O2S         (Mass of molecular ion:    200)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       9.2
      38.0       2.2
      39.0       5.8
      40.0      60.4
      41.0       6.8
      48.0       3.3
      59.0       1.1
      60.0       4.4
      64.0       1.6
      66.0       2.9
      67.0       8.3
      69.0     100.0
      70.0       1.3
      71.0       2.0
      72.0       2.5
      78.0       4.0
      82.0       2.5
      86.0      12.8
      87.0       1.0
      89.0       2.1
      90.0       5.0
      96.0       2.4
     109.0       8.2
     116.0       2.4
     117.0       9.6
     133.0       4.5
     135.0       4.0
     136.0       7.0
     200.0      55.1
     201.0       3.5
     202.0       2.8

400 MHz in CDCl3

1-(Trifluoromethanesulfonyl)imidazole(29540-81-6) MS

¹H NMR	399.65 MHz
C₄ H₃ F₃ N₂ O₂ S	0.046 g : 0.5 ml CDCl₃
1-((trifluoromethyl)sulfonyl)imidazole

    Assign.     Shift(ppm)

      A             8.020
      B             7.374
      C             7.292
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   3205.20   8.021    991
   2948.49   7.378    654
   2947.27   7.375   1000
   2938.35   7.353     22
   2926.15   7.322     21
   2925.54   7.321     21
   2915.77   7.296    900
   2915.04   7.294    963
   2914.06   7.292    919
   2913.33   7.290    994
   2906.98   7.274     25
   2905.15   7.270     21

in CDCl3