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443-48-1

Metronidazole

Product Name Metronidazole

CAS443-48-1

MFC6H9N3O3

MW171.15

More

  • 443-48-1_ms
    Mass

    MS-NW-9404          
    2-(2-methyl-5-nitro-1-imidazolyl)ethanol
    C6H9N3O3            (Mass of molecular ion:    171)
    

       Source Temperature: 150 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          15.0       6.2
          17.0       3.4
          18.0      18.6
          19.0       4.7
          26.0      11.7
          27.0      19.4
          28.0      24.2
          29.0       5.9
          30.0       7.0
          31.0       8.1
          38.0       1.1
          39.0       3.7
          40.0       5.8
          41.0       6.9
          42.0      29.9
          43.0      20.7
          44.0       5.2
          45.0      33.1
          51.0       1.9
          52.0      21.7
          53.0      54.8
          54.0      71.9
          55.0       8.8
          56.0       3.6
          57.0       1.1
          60.0       1.4
          66.0       2.1
          67.0      12.4
          68.0       4.6
          69.0       5.0
          70.0       2.7
          72.0       4.8
          79.0       1.0
          80.0      21.9
          81.0     100.0
          82.0      12.3
          83.0       7.4
          84.0       1.7
          85.0       1.5
          94.0       4.0
          95.0       3.4
          96.0       7.5
          97.0       2.4
          98.0       1.0
         100.0       1.6
         108.0       2.6
         109.0       1.8
         110.0       1.3
         111.0       3.0
         112.0       9.2
         123.0       3.6
         124.0      93.5
         125.0      43.5
         126.0       4.1
         128.0       1.9
         141.0       1.1
         154.0       6.3
         171.0      36.9
         172.0       5.7
    

400 MHz in DMSO-d6

  • 443-48-1_1hnmr

    1H NMR 399.65 MHz
    C6 H9 N3 O3 0.039 g : 0.5 ml DMSO-d6
    2-(2-methyl-5-nitro-1-imidazolyl)ethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.027 B 5.03 C 4.360 D 3.688 E 2.462 J(B,D)=5.5HZ

         Hz     ppm     Int.
    

       3208.25   8.028    369
       2014.53   5.041    105
       2009.03   5.027    251
       2003.54   5.014    108
       1748.17   4.375    148
       1745.97   4.369     34
       1742.92   4.362    248
       1739.50   4.353     37
       1737.55   4.348    160
       1482.06   3.709     83
       1476.56   3.695    202
       1473.63   3.688     31
       1471.31   3.682    195
       1468.14   3.674     22
       1465.82   3.668     84
        984.13   2.463   1000
        980.47   2.454     30
    

in DMSO-d6

  • 443-48-1_13cnmr

KBr disc

  • 443-48-1_ir1_2

nujol mull

  • 443-48-1_ir2

  • 443-48-1_raman