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54-85-3

Isoniazid

Product Name Isoniazid

CAS54-85-3

MFC6H7N3O

MW137.14

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  • 54-85-3_ms
    Mass 

    MS-NW-0621          
isonicotinohydrazide
C6H7N3O             (Mass of molecular ion:    137)


       Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV


          18.0       2.1
      26.0       1.9
      27.0       1.3
      28.0       4.4
      29.0       2.0
      30.0       1.3
      31.0       8.6
      32.0       1.5
      37.0       1.2
      38.0       1.5
      39.0       1.5
      49.0       1.8
      50.0      14.4
      51.0      52.1
      52.0       7.8
      53.0       1.3
      75.0       1.0
      76.0       1.4
      77.0       1.4
      78.0      98.8
      79.0      16.0
      80.0       1.0
     106.0     100.0
     107.0      11.1
     137.0      58.2
     138.0       4.6

90 MHz in DMSO-d6

parameter in DMSO-d6

  • 54-85-3_1hnmr_2

    1H NMR 89.56 MHz
    C6 H7 N3 O 0.038 g : 0.5 ml DMSO-d6
    isonicotinohydrazide
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            10.10
      B             8.721
      C             7.753
      D             4.64
  

         Hz     ppm     Int.


        904.69  10.102     61
    784.35   8.758    549
    782.74   8.740    341
    779.96   8.709    360
    778.27   8.690    646
    775.05   8.654     33
    774.10   8.644     26
    697.34   7.787   1000
    695.73   7.769    577
    693.02   7.739    510
    691.33   7.720    919
    416.16   4.647    177

  • 54-85-3_1hnmr

    1H NMR 300 MHz
    C6 H7 N3 O 30 % in DMSO
    isonicotinohydrazide
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         8.84
      D(B)         7.88
       J(A,A')         0.4
       J(A,B)          5.2
       J(A,B')         0.8
       J(A',B)         0.8
       J(A',B')        5.2
       J(B,B')         1.5
     
      D(C)        10.0
     
      D(D)         4.8
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)
     H(C) AND H(D):BROAD.
  

         Hz     ppm     Int.


       3000.02  10.000    500
   2655.03   8.850    333
   2653.66   8.846    199
   2650.46   8.835    200
   2649.05   8.830    346
   2366.97   7.890    348
   2365.66   7.886    201
   2362.36   7.875    200
   2360.99   7.870    331
   1439.99   4.800   1000

DMSO-d6

  • 54-85-3_13cnmr

KBr disc

  • 54-85-3_ir1_2

nujol mull

  • 54-85-3_ir2

4880 A,200 M,powder

  • 54-85-3_raman

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