Benzimidazole(51-17-2) MS
Product NameBenzimidazole
CAS51-17-2
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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MassMS-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
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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
KBr disc
nujol mull
4880 A,200 M,powder
