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5418-95-1

2-胍啶苯并咪唑(5418-95-1)Raman光譜

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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