6293-87-4

2-硝基苯肼盐酸盐(6293-87-4)质谱(MS)

产品名称:2-硝基苯肼盐酸盐

CAS:6293-87-4

分子式:C6H8ClN3O2

分子量: 189.6

InChI:InChI=1S/C6H7N3O2.ClH/c7-8-5-3-1-2-4-6(5)9(10)11;/h1-4,8H,7H2;1H

InChIKey: XCUBVSAYUSFHNN-UHFFFAOYSA-N

Smiles:C1(NN)=CC=CC=C1[N+]([O-])=O.Cl

Mass

MS-IW-1885          
(o-nitrophenyl)hydrazine monohydrochloride
C6H7N3O2 HCl        (Mass of molecular ion:    153)

   Source Temperature: 130 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.4
      27.0       3.2
      28.0       6.5
      29.0       3.0
      30.0       4.3
      31.0       1.0
      35.0       5.6
      36.0      48.1
      37.0       3.8
      38.0      17.0
      39.0      12.8
      40.0       1.9
      41.0       1.9
      43.0       1.0
      50.0      13.4
      51.0      35.7
      52.0      96.3
      53.0      20.7
      54.0       2.5
      61.0       1.9
      62.0       4.2
      63.0      17.0
      64.0      15.5
      65.0      10.0
      66.0       1.8
      74.0       4.1
      75.0       3.8
      76.0      10.4
      76.5       2.9
      77.0     100.0
      78.0      29.7
      79.0      25.0
      80.0       7.3
      90.0      14.9
      91.0      22.4
      92.0       6.7
      93.0       2.2
     105.0       5.4
     106.0       1.6
     107.0       1.8
     119.0       5.0
     135.0       9.6
     136.0       2.4
     153.0      84.2
     154.0       6.6

400 MHz in DMSO-d6

90 MHz in D2O

¹H NMR	399.65 MHz
C₆ H₇ N₃ O₂	saturated in DMSO-d₆
(o-nitrophenyl)hydrazine monohydrochloride

    Assign.     Shift(ppm)

      A            10.6
      B             9.25
      C             8.164
      D             7.760
      E             7.392
      F             7.104

     Hz     ppm     Int.

   4234.44  10.596     51
   3698.31   9.254    266
   3268.06   8.178    941
   3266.59   8.174    997
   3259.63   8.157    987
   3257.98   8.153    983
   3110.35   7.783    444
   3108.70   7.779    471
   3104.86   7.769    131
   3103.02   7.765    551
   3101.74   7.762    881
   3100.28   7.758    603
   3094.60   7.744    542
   3093.13   7.740    518
   2958.87   7.404    878
   2957.77   7.401    942
   2950.26   7.383    819
   2949.35   7.380    820
   2847.51   7.126    544
   2846.22   7.122    592
   2840.18   7.107    616
   2839.08   7.104   1000
   2837.80   7.101    645
   2831.75   7.086    526
   2830.66   7.083    535

¹H NMR	89.56 MHz
C₆ H₇ N₃ O₂	0.038 g : 0.5 ml D₂O
(o-nitrophenyl)hydrazine monohydrochloride

    Assign.     Shift(ppm)

      A             8.243
      B             7.790
      C             7.23
      D             7.18
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    744.25   8.311    270
    743.31   8.300    258
    742.50   8.291    436
    736.31   8.222    247
    735.44   8.212    349
    733.88   8.195    539
    707.31   7.898    226
    705.75   7.881    237
    700.75   7.825    127
    700.00   7.816    232
    698.56   7.800    400
    697.19   7.785    340
    691.63   7.723    413
    690.00   7.705    389
    651.75   7.278    951
    651.13   7.271    942
    648.69   7.244    100
    643.31   7.184   1000
    642.00   7.169    482
    636.06   7.103    273
    634.81   7.089    225

in D2O

in DMSO-d6