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606-26-8

2-硝基苄肼(606-26-8)核磁图(13CNMR)

产品名称:2-硝基苄肼

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

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    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

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

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KBr disc

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nujol mull

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