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网站主页CAS数据库列表 618-98-4更多图谱间硝基苯甲酸乙酯(618-98-4)核磁图(13CNMR)

间硝基苯甲酸乙酯

产品名称 间硝基苯甲酸乙酯

CAS号618-98-4

分子式C9H9NO4

分子量195.17

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  • Mass

    MS2016-05351CW      
    ethyl m-nitrobenzoate
    C9H9NO4             (Mass of molecular ion:    195)
    

       Source Temperature: 245 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          27.0       1.4
          29.0       2.8
          45.0       2.8
          50.0       5.7
          51.0       1.6
          63.0       1.1
          64.0       1.1
          65.0       8.5
          74.0       2.6
          75.0       7.3
          76.0      17.5
          77.0       2.5
          92.0       3.3
          93.0       2.0
         103.0       4.2
         104.0      26.9
         105.0       2.4
         121.0      16.7
         122.0       3.2
         134.0       9.6
         135.0      22.5
         136.0       2.0
         137.0       3.2
         149.0       1.4
         150.0     100.0
         151.0      16.6
         152.0       1.9
         167.0      30.0
         168.0       4.3
         178.0       5.2
         179.0       1.5
         195.0      17.2
         196.0       1.9
    

400 MHz in CDCl3

in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H9 N O4 0.042 g : 0.5 ml CDCl3
    ethyl m-nitrobenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.862 B 8.420 C 8.386 D 7.673 E 4.456 F 1.447

         Hz     ppm     Int.
    

       3544.16   8.869    125
       3543.70   8.868    140
       3542.63   8.865    154
       3541.87   8.863    188
       3540.19   8.859    139
       3539.73   8.858    127
       3371.28   8.436     92
       3370.21   8.433    106
       3368.99   8.430     95
       3367.77   8.427    103
       3363.04   8.415     98
       3361.97   8.413    117
       3360.75   8.410    107
       3359.53   8.407    109
       3356.78   8.400    113
       3355.71   8.397    126
       3355.26   8.396    138
       3354.03   8.393    100
       3349.00   8.380    116
       3347.93   8.378    132
       3347.47   8.377    149
       3346.25   8.373     97
       3074.80   7.694    123
       3074.34   7.693    127
       3066.56   7.674    232
       3058.78   7.654    108
       3058.32   7.653    110
       1792.14   4.485    142
       1784.97   4.467    461
       1777.80   4.449    480
       1770.63   4.431    159
        585.78   1.466    475
        578.61   1.448   1000
        571.44   1.430    484
    



in CDCl3

in DMSO-d6





KBr disc



Nujol



4880 A,200 M,powder