Product Name2-GUANIDINOBENZIMIDAZOLE
CAS5418-95-1
Molecular FormulaC8H9N5
Molecular Weight175.19
InChIInChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)
InChIKey JJWCTKUQWXYIIU-UHFFFAOYSA-N
SmilesN(C1NC2=CC=CC=C2N=1)C(=N)N
Mass
MS-NW-8974 1-(2-benzimidazolyl)guanidine C8H9N5 (Mass of molecular ion: 175)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
17.0 1.1 18.0 2.2 28.0 1.2 42.0 1.3 43.0 3.9 51.0 1.5 52.0 1.6 53.0 1.3 63.0 1.2 64.0 1.4 65.0 1.2 77.0 1.2 78.0 2.6 79.0 4.7 87.5 2.8 90.0 3.5 91.0 1.7 104.0 2.9 105.0 14.9 106.0 9.7 116.0 1.0 131.0 2.9 132.0 7.9 133.0 44.3 134.0 3.9 157.0 2.1 158.0 97.7 159.0 11.6 174.0 1.9 175.0 100.0 176.0 10.8
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C8 H9 N5 | 0.040 g : 0.5 ml DMSO-d6 |
1-(2-benzimidazolyl)guanidine |
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Assign. Shift(ppm) |
Hz ppm Int.
4381.34 10.963 68 2886.34 7.223 41 2872.78 7.189 399 2869.67 7.181 443 2867.29 7.175 452 2864.17 7.167 433 2850.99 7.134 43 2850.44 7.133 43 2846.77 7.124 31 2846.04 7.122 30 2776.80 6.949 90 2772.77 6.938 237 2768.74 6.928 1000 2765.45 6.920 876 2762.88 6.914 838 2759.77 6.906 858 2755.56 6.895 188 2751.71 6.886 92
in DMSO-d6
KBr disc
nujol mull
2-GUANIDINOBENZIMIDAZOLE(5418-95-1) IR1 Atlas of Related Products
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