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Back ChemicalBook Home>CAS DataBase List>94-52-0More Spectrum> 5-Nitrobenzimidazole(94-52-0) Raman

94-52-0

5-Nitrobenzimidazole(94-52-0) Raman

Product Name5-Nitrobenzimidazole

CAS94-52-0

Molecular FormulaC7H5N3O2

Molecular Weight163.13

InChIInChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)

InChIKey XPAZGLFMMUODDK-UHFFFAOYSA-N

SmilesC1NC2=CC([N+]([O-])=O)=CC=C2N=1

  • 5-Nitrobenzimidazole(94-52-0) Raman
    Mass

    MS-NW-2650          
    5-nitrobenzimidazole
    C7H5N3O2            (Mass of molecular ion:    163)
    

       Source Temperature: 230 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          17.0       2.3
          18.0      11.4
          27.0       1.3
          28.0       5.6
          30.0       4.2
          37.0       2.5
          38.0       4.1
          39.0       7.3
          40.0       1.0
          50.0       2.1
          51.0       4.0
          52.0       7.6
          61.0       3.0
          62.0       9.8
          63.0      32.3
          64.0       5.9
          65.0       1.7
          76.0       1.2
          77.0       2.3
          78.0       5.2
          79.0       1.0
          80.0       1.4
          88.0       2.2
          89.0       4.1
          90.0      55.5
          91.0       4.0
         105.0      13.5
         106.0       2.5
         116.0       3.2
         117.0      54.5
         118.0       4.9
         133.0      25.8
         134.0       2.3
         147.0       2.2
         163.0     100.0
         164.0       9.2
    

90 MHz in DMSO-d6

  • 5-Nitrobenzimidazole(94-52-0) Raman

    1H NMR 89.56 MHz
    C7 H5 N3 O2 0.039 g : 0.5 ml DMSO-d6
    5-nitrobenzimidazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.1 B 8.586 C 8.538 D 8.132 E 7.801 J(C,D)=2.2HZ J(C,E)=0.4HZ J(D,E)=8.9HZ

         Hz     ppm     Int.
    

       1173.13  13.099     45
        769.04   8.587   1000
        766.14   8.555    526
        765.71   8.550    536
        763.92   8.530    575
        758.96   8.475     36
        758.36   8.468     33
        735.12   8.209    298
        732.81   8.183    251
        729.57   8.147     30
        728.63   8.136     39
        726.15   8.108    490
        724.01   8.085    452
        702.22   7.841    624
        701.79   7.836    618
        698.55   7.800     37
        697.69   7.791     34
        696.58   7.778     33
        695.73   7.769     34
        693.33   7.742    370
        692.91   7.737    360
    

KBr disc

  • 5-Nitrobenzimidazole(94-52-0) Raman

nujol mull

  • 5-Nitrobenzimidazole(94-52-0) Raman

4880 A,200 M,powder

  • 5-Nitrobenzimidazole(94-52-0) Raman

5-Nitrobenzimidazole(94-52-0) Raman Atlas of Related Products

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