2-BENZIMIDAZOLYLUREA(24370-25-0) IR2
Product Name2-BENZIMIDAZOLYLUREA
CAS24370-25-0
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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MassMS-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
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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
