1H-Benzimidazole-5-carboxylic acid(15788-16-6) IR1

Product Name1H-Benzimidazole-5-carboxylic acid

CAS 15788-16-6

Molecular FormulaC8H6N2O2

Molecular Weight162.15

InChIInChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)

InChIKey COYPLDIXZODDDL-UHFFFAOYSA-N

SmilesC1NC2=CC(C(O)=O)=CC=C2N=1

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Mass

MS-IW-8182          
5-benzimidazolecarboxylic acid
C8H6N2O2            (Mass of molecular ion:    162)

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

      18.0       1.5
      28.0       1.7
      38.0       1.3
      39.0       1.4
      44.0       1.0
      51.0       1.1
      52.0       2.0
      53.0       1.1
      58.5       1.0
      61.0       1.3
      62.0       3.2
      63.0       7.9
      64.0       2.3
      67.0       3.9
      72.5       1.6
      89.0       1.4
      90.0      13.1
      91.0       2.2
     106.0       1.0
     116.0       2.0
     117.0      37.9
     118.0       6.5
     145.0      73.7
     146.0       7.0
     162.0     100.0
     163.0      11.7
     164.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₆ N₂ O₂	0.036 g : 0.5 ml DMSO-d₆
5-benzimidazolecarboxylic acid

    Assign.     Shift(ppm)

      A             8.460
      B             8.290
      C             7.906
      D             7.721

     Hz     ppm     Int.

   3381.10   8.461   1000
   3374.76   8.445     24
   3313.96   8.293    583
   3312.99   8.290    596
   3165.28   7.921    375
   3163.82   7.917    366
   3160.16   7.908     28
   3156.74   7.899    451
   3155.27   7.896    476
   3089.84   7.732    517
   3085.69   7.721     35
   3081.54   7.711    431

in DMSO-d6