606-26-8

2-硝基芐肼(606-26-8)質(zhì)譜(MS)

產(chǎn)品名稱:2-硝基芐肼

CAS:606-26-8

分子式:C7H7N3O3

分子量: 181.15

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

InChIKey: LYGGDXLOJMNFBV-UHFFFAOYSA-N

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

Mass

MS-NW-2194          
o-nitrobenzohydrazide
C7H7N3O3            (Mass of molecular ion:    181)

   Source Temperature: 210 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      14.0       1.3
      17.0       4.2
      18.0      18.9
      26.0       1.1
      27.0       8.3
      28.0      27.8
      29.0       3.1
      30.0      17.3
      31.0      18.9
      37.0       3.1
      38.0       4.5
      39.0      10.0
      41.0       2.1
      44.0       9.5
      49.0       1.4
      50.0      25.3
      51.0      42.8
      52.0      11.9
      53.0       2.4
      61.0       1.3
      62.0       1.9
      63.0       7.9
      64.0       9.8
      65.0      27.1
      66.0       2.9
      74.0       5.7
      75.0       7.5
      76.0      42.5
      77.0      10.9
      78.0      13.0
      79.0       5.3
      80.0       1.5
      90.0       3.1
      91.0       9.0
      92.0      11.2
      93.0      23.2
      94.0       1.7
     104.0      17.6
     105.0       4.2
     107.0       1.1
     109.0       1.0
     118.0       1.3
     119.0      12.3
     120.0       2.1
     121.0      37.7
     122.0       3.4
     134.0       7.9
     135.0       3.0
     137.0       6.7
     150.0      21.5
     151.0     100.0
     152.0       8.5
     153.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₇ N₃ O₃	0.040 g : 0.5 ml DMSO-d₆
o-nitrobenzohydrazide

    Assign.     Shift(ppm)

      A             9.81
      B             8.037
      C             7.780
      D             7.701
      E             7.584
      F             4.53

     Hz     ppm     Int.

   3921.81   9.814    534
   3217.16   8.050    773
   3215.94   8.047    857
   3209.08   8.030    909
   3207.86   8.027    967
   3118.74   7.804    346
   3117.52   7.801    389
   3111.11   7.785    937
   3109.89   7.782   1000
   3103.64   7.766    703
   3102.42   7.763    693
   3085.33   7.721    584
   3083.80   7.717    694
   3077.24   7.700    699
   3075.87   7.697    793
   3069.61   7.681    390
   3068.24   7.678    389
   3035.13   7.595    891
   3033.60   7.591    945
   3027.65   7.576    748
   3026.12   7.572    780
   1810.30   4.530    877

in DMSO-d6

in D2O