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网站主页CAS数据库列表 56406-50-9更多图谱3-硝基苯甲脒盐酸盐(56406-50-9)质谱(MS)

3-硝基苯甲脒盐酸盐

产品名称 3-硝基苯甲脒盐酸盐

CAS号56406-50-9

分子式C7H8ClN3O2

分子量201.61

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  • Mass

    MS-NW-6864          
    m-nitrobenzamidine hydrochloride
    C7H7N3O2 HCl        (Mass of molecular ion:    165)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          16.0       1.2
          17.0       4.5
          18.0      10.0
          27.0       2.2
          28.0       4.5
          30.0       5.7
          35.0       6.1
          36.0      43.7
          37.0       2.4
          38.0      14.3
          39.0       5.4
          41.0       1.0
          42.0       1.6
          43.0      51.9
          44.0       1.3
          46.0       1.0
          49.0       1.3
          50.0      22.3
          51.0      16.7
          52.0       5.2
          53.0       1.1
          61.0       1.3
          62.0       2.2
          63.0       5.0
          64.0       3.8
          65.0      11.5
          66.0       1.4
          73.0       1.5
          74.0       8.7
          75.0      15.7
          76.0      34.7
          77.0      14.2
          78.0       1.4
          80.0       1.1
          90.0       3.9
          91.0       5.8
          92.0       7.8
          93.0       1.0
         102.0      26.8
         103.0      67.2
         104.0       5.7
         117.0       1.1
         118.0       5.7
         119.0     100.0
         120.0       9.2
         148.0       8.6
         149.0      48.1
         150.0       4.6
         165.0      80.5
         166.0       7.7
    

90 MHz in D2O


  • 1H NMR 89.56 MHz
    C7 H7 N3 O2 0.048 g : 0.5 ml D2O
    m-nitrobenzamidine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.71 B 8.63 C 8.239 D 7.935 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

        783.31   8.747    375
        782.69   8.740    451
        781.00   8.721   1000
        780.44   8.715    723
        779.31   8.702    822
        778.63   8.694    668
        777.56   8.683    589
        776.31   8.669    617
        775.31   8.657    275
        774.06   8.643    226
        769.50   8.593    562
        768.25   8.579    626
        767.25   8.567    445
        766.00   8.553    404
        744.06   8.308    341
        742.88   8.295    453
        742.38   8.290    367
        741.13   8.276    320
        736.25   8.221    656
        735.06   8.208    701
        734.50   8.202    674
        733.25   8.188    471
        717.31   8.010    764
        716.69   8.003    618
        709.25   7.920    870
        701.38   7.832    332
        700.75   7.825    291
    

in D2O



KBr disc



nujol mull