Benzimidazole(51-17-2) ¹³C NMR

Product NameBenzimidazole

CAS 51-17-2

Molecular FormulaC7H6N2

Molecular Weight118.14

InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)

InChIKey HYZJCKYKOHLVJF-UHFFFAOYSA-N

SmilesC1NC2=CC=CC=C2N=1

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Mass

MS-NW-0231          
benzimidazole
C7H6N2              (Mass of molecular ion:    118)

   Source Temperature: 190 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      26.0       1.1
      28.0       5.6
      37.0       6.0
      38.0       7.4
      39.0       7.6
      40.0       1.5
      41.0       2.7
      50.0       3.3
      51.0       2.7
      52.0       8.1
      59.0       1.9
      61.0       3.9
      62.0       6.3
      63.0      18.3
      64.0      15.2
      65.0       4.4
      87.0       1.1
      88.0       1.1
      90.0      10.1
      91.0      37.5
      92.0       3.1
     117.0       3.5
     118.0     100.0
     119.0       8.5

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₇ H₆ N₂	0.044 g : 0.5 ml DMSO-d₆
benzimidazole

    Assign.     Shift(ppm)

      A            12.5
      B             8.235
      C             7.61
      D             7.21

     Hz     ppm     Int.

   1117.25  12.475     42
    737.51   8.235   1000
    733.41   8.190     29
    691.46   7.721     31
    690.17   7.707     47
    687.01   7.671    401
    683.76   7.635    399
    681.12   7.606    396
    677.78   7.568    640
    674.37   7.530    112
    653.09   7.293    121
    649.16   7.249    817
    646.00   7.214    538
    643.18   7.182    558
    639.93   7.146    530
    636.60   7.109     48

in DMSO-d6