1H-Benzimidazole-5-carboxylic acid(15788-16-6) IR1
Product Name1H-Benzimidazole-5-carboxylic acid
CAS15788-16-6
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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MassMS-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
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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
KBr disc
nujol mull
