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5418-95-1

2-胍啶苯并咪唑(5418-95-1)红外图谱(IR1)

产品名称:2-胍啶苯并咪唑

CAS:5418-95-1

分子式:C8H9N5

分子量: 175.19

InChI:InChI=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

Smiles:N(C1NC2=CC=CC=C2N=1)C(=N)N

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    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

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    1H NMR 399.65 MHz
    C8 H9 N5 0.040 g : 0.5 ml DMSO-d6
    1-(2-benzimidazolyl)guanidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 10.96 B 7.177 C 6.92 D *1 7.

         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

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KBr disc

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nujol mull

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