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网站主页CAS数据库列表 618-95-1更多图谱3-硝基苯甲酸甲酯(618-95-1)质谱(MS)

3-硝基苯甲酸甲酯

产品名称 3-硝基苯甲酸甲酯

CAS号618-95-1

分子式C8H7NO4

分子量181.15

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  • Mass

    MS-NW-4872          
    methyl m-nitrobenzoate
    C8H7NO4             (Mass of molecular ion:    181)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       6.7
          28.0       2.3
          29.0       1.2
          30.0       2.4
          37.0       1.1
          38.0       1.7
          39.0       2.5
          50.0      15.1
          51.0       2.9
          59.0       2.7
          63.0       2.8
          64.0       3.3
          65.0       1.6
          74.0       5.2
          75.0      14.1
          76.0      24.2
          77.0       8.8
          91.0       1.0
          92.0       8.6
         103.0       7.7
         104.0      27.1
         105.0       2.6
         107.0       1.0
         119.0       6.7
         120.0       8.7
         121.0       2.2
         122.0       2.1
         134.0       1.2
         135.0       9.6
         136.0       4.7
         150.0     100.0
         151.0      16.8
         152.0       1.6
         164.0       2.1
         180.0       1.7
         181.0      23.7
         182.0       2.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H7 N O4 0.038 g : 0.5 ml CDCl3
    methyl m-nitrobenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.862 B 8.425 C 8.378 D 7.677 E 4.001

         Hz     ppm     Int.
    

       3543.95   8.868     78
       3543.46   8.867     76
       3541.87   8.863    117
       3539.92   8.858     89
       3373.29   8.441     54
       3372.19   8.438     67
       3370.97   8.435     59
       3369.87   8.433     63
       3365.11   8.421     60
       3364.01   8.418     69
       3362.79   8.415     63
       3361.69   8.412     65
       3353.76   8.392     65
       3352.66   8.389     84
       3352.17   8.388     77
       3351.07   8.386     64
       3346.07   8.373     70
       3344.85   8.370     88
       3344.48   8.369     82
       3343.26   8.366     64
       3076.54   7.699     83
       3076.05   7.697     72
       3068.36   7.678    140
       3060.55   7.659     75
       3060.06   7.657     64
       1599.00   4.002   1000
    

in CDCl3



CCl4 solution



KBr disc



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