618-94-0

3-硝基苯酰肼(618-94-0)质谱(MS)

产品名称:3-硝基苯酰肼

CAS:618-94-0

分子式:C7H7N3O3

分子量: 181.15

InChI:InChI=1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)

InChIKey: NQEWXLVDAVTOHM-UHFFFAOYSA-N

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

Mass

MS-NW-2257          
m-nitrobenzohydrazide
C7H7N3O3            (Mass of molecular ion:    181)

   Source Temperature: 190 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.8
      28.0       3.9
      30.0       1.1
      31.0       4.4
      38.0       1.1
      39.0       1.4
      50.0      10.9
      51.0       3.3
      63.0       1.9
      64.0       2.5
      65.0       1.2
      74.0       3.5
      75.0       8.6
      76.0      33.1
      77.0       3.6
      92.0       6.9
     104.0      43.1
     105.0       3.8
     120.0       1.2
     122.0       2.8
     134.0       2.4
     150.0     100.0
     151.0      10.3
     152.0       1.0
     181.0      28.6
     182.0       2.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₇ N₃ O₃	0.037 g : 0.5 ml DMSO-d₆
m-nitrobenzohydrazide

    Assign.     Shift(ppm)

      A            10.2
      B             8.659
      C             8.378
      D             8.280
      E             7.788
      F             4.7

     Hz     ppm     Int.

   4074.17  10.195    322
   3462.58   8.665    645
   3460.75   8.660    964
   3458.92   8.655    690
   3354.33   8.394    410
   3353.23   8.391    493
   3351.95   8.388    440
   3350.85   8.385    441
   3346.09   8.373    461
   3344.99   8.370    508
   3343.70   8.367    494
   3342.61   8.364    456
   3314.76   8.295    431
   3313.67   8.292    552
   3313.12   8.291    534
   3312.02   8.288    439
   3306.89   8.275    475
   3305.79   8.272    568
   3305.42   8.271    594
   3304.32   8.269    465
   3120.42   7.808    587
   3112.37   7.788   1000
   3108.15   7.778     43
   3107.60   7.776     42
   3107.24   7.775     42
   3104.31   7.768    513
   1863.17   4.663    537

KBr disc