2-BENZIMIDAZOLYLUREA(24370-25-0) IR1

Product Name2-BENZIMIDAZOLYLUREA

CAS 24370-25-0

Molecular FormulaC8H8N4O

Molecular Weight176.18

InChIInChI=1S/C8H8N4O/c9-7(13)12-8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H4,9,10,11,12,13)

InChIKey LNYZEFQMIURYEI-UHFFFAOYSA-N

SmilesN(C1NC2=CC=CC=C2N=1)C(N)=O

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Mass

MS-NW-6239          
2-benzimidazolylurea
C8H8N4O             (Mass of molecular ion:    176)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      16.0       5.3
      17.0       6.7
      18.0       6.8
      26.0       1.3
      27.0       2.6
      28.0       4.5
      29.0       1.8
      37.0       1.6
      38.0       2.9
      39.0       4.3
      40.0       1.1
      41.0       1.4
      42.0       1.8
      43.0       7.5
      44.0       4.1
      50.0       3.5
      51.0       8.6
      52.0       8.8
      53.0       4.0
      54.0       1.6
      62.0       1.8
      63.0       5.7
      64.0       6.1
      65.0       3.4
      66.5       1.8
      75.0       1.1
      76.0       2.8
      77.0       8.3
      78.0       7.9
      79.0       7.8
      79.5       2.7
      80.0       2.2
      90.0       6.4
      91.0       2.8
      92.0       1.0
     103.0       1.7
     104.0      16.7
     105.0      20.7
     106.0      11.8
     107.0       1.3
     116.0       1.0
     130.0       1.4
     131.0      13.0
     132.0       8.4
     133.0      79.7
     134.0       7.2
     135.0       1.8
     158.0       1.9
     159.0     100.0
     160.0      13.3
     161.0       1.2
     176.0      23.5
     177.0       4.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₈ N₄ O	0.038 g : 0.5 ml DMSO-d₆
2-benzimidazolylurea

    Assign.     Shift(ppm)

      A             7.398
      B             7.040
      C             6.85

     Hz     ppm     Int.

   2961.44   7.411    871
   2958.32   7.403    878
   2955.76   7.396    898
   2952.46   7.388   1000
   2818.02   7.052    982
   2814.90   7.044    899
   2812.16   7.037    879
   2809.04   7.029    902
   2737.61   6.851    389

in DMSO-d6

KBr disc

nujol mull

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