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网站主页CAS数据库列表 1955-46-0更多图谱5-硝基间苯二甲酸单甲酯(1955-46-0)红外图谱(IR1)

5-硝基间苯二甲酸单甲酯

产品名称 5-硝基间苯二甲酸单甲酯

CAS号1955-46-0

分子式C9H7NO6

分子量225.15

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  • Mass

    MS-NW-9591          
    methyl hydrogen 5-nitroisophthalate
    C9H7NO6             (Mass of molecular ion:    225)
    

       Source Temperature: 180 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          15.0       1.9
          17.0       1.0
          18.0       5.4
          28.0       1.1
          50.0       2.1
          53.0       1.2
          59.0       2.3
          63.0       2.1
          64.0       1.3
          65.0       1.5
          74.0       6.6
          75.0      11.1
          76.0       1.2
          77.0       1.5
          91.0       1.2
          92.0       1.3
         102.0       3.9
         103.0       1.0
         108.0       1.0
         119.0       7.4
         120.0      12.1
         121.0       1.5
         133.0       1.1
         134.0       1.3
         135.0       1.3
         136.0       5.0
         147.0       3.7
         148.0      26.1
         149.0       3.1
         162.0       1.2
         163.0       4.0
         164.0       4.5
         165.0       2.0
         166.0       1.8
         179.0       6.3
         180.0       7.3
         194.0     100.0
         195.0      22.6
         196.0       2.7
         208.0       2.8
         224.0       5.7
         225.0      25.5
         226.0       2.8
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H7 N O6 0.040 g : 0.5 ml DMSO-d6
    methyl hydrogen 5-nitroisophthalate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 14.0 B *1 8.74 C *1 8.72 D *1 8.672 E 3.964

         Hz     ppm     Int.
    

       3494.59   8.745     94
       3492.88   8.740    124
       3492.24   8.739    190
       3490.74   8.735    198
       3487.97   8.728    176
       3486.47   8.724    208
       3484.12   8.718    108
       3467.45   8.677    158
       3465.96   8.673    249
       3464.46   8.669    123
       1584.25   3.965   1000
    

KBr disc



4880 A,200 M,powder