553-53-7

3-吡啶甲酰肼(553-53-7)質譜(MS)

產品名稱:3-吡啶甲酰肼

CAS:553-53-7

分子式:C6H7N3O

分子量: 137.14

InChI:InChI=1S/C6H7N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H,7H2,(H,9,10)

InChIKey: KFUSANSHCADHNJ-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1C(NN)=O

Mass

MS-NW-0723          
nicotinohydrazide
C6H7N3O             (Mass of molecular ion:    137)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.4
      26.0       1.8
      27.0       2.5
      28.0       5.4
      29.0       1.6
      30.0       1.0
      31.0       4.9
      37.0       1.2
      38.0       1.9
      39.0       2.0
      49.0       1.9
      50.0      11.8
      51.0      39.0
      52.0       7.2
      53.0       2.3
      75.0       1.2
      76.0       1.8
      77.0       2.3
      78.0      93.2
      79.0       7.8
     104.0       1.5
     106.0     100.0
     107.0       7.2
     137.0      35.0
     138.0       2.8

90 MHz in D2O

parameter in DMSO-d6

¹H NMR	89.56 MHz
C₆ H₇ N₃ O	0.042 g : 0.5 ml D₂O
nicotinohydrazide

    Assign.     Shift(ppm)

      A             8.80
      B             8.667
      C             8.117
      D             7.553
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

    787.00   8.788   1000
    778.31   8.691    703
    773.19   8.634    741
    731.88   8.172    531
    723.44   8.078    713
    682.44   7.620    630
    677.38   7.564    600
    674.44   7.531    498
    669.38   7.475    439

¹H NMR	300 MHz
C₆ H₇ N₃ O	30 % in DMSO
nicotinohydrazide

    Parameter     ppm  Hz

      D(A)         9.17
      D(B)         8.32
      D(C)         7.63
      D(D)         8.84
       J(A,B)          1.6
       J(A,C)          0.8
       J(A,D)          0.0
       J(B,C)          7.9
       J(B,D)          1.9
       J(C,D)          4.7
     
      D(E)        10.10
     
      D(F)         5.25
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)
     H(E) & H(F):BROAD.

     Hz     ppm     Int.

   3030.01  10.100    500
   2752.13   9.174    179
   2751.41   9.171    205
   2750.64   9.169    206
   2749.92   9.166    181
   2655.32   8.851    132
   2653.48   8.845    138
   2650.60   8.835    139
   2648.76   8.829    139
   2501.78   8.339     72
   2500.02   8.333    120
   2498.32   8.328     72
   2493.87   8.313     79
   2492.16   8.307    132
   2490.41   8.301     76
   2295.58   7.652     87
   2294.91   7.650     88
   2290.87   7.636     88
   2290.19   7.634     89
   2287.68   7.626     85
   2287.00   7.623     84
   2282.96   7.610     79
   2282.29   7.608     79
   1574.99   5.250   1000

in D2O