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51-17-2

苯并咪唑(51-17-2)Raman光谱

产品名称:苯并咪唑

CAS:51-17-2

分子式:C7H6N2

分子量: 118.14

InChI:InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)

InChIKey: HYZJCKYKOHLVJF-UHFFFAOYSA-N

Smiles:C1NC2=CC=CC=C2N=1

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    Mass

    MS-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
    ChemicalStructure
        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

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KBr disc

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nujol mull

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4880 A,200 M,powder

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