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5-羟甲基咪唑-4-甲酸甲酯

产品名称 5-羟甲基咪唑-4-甲酸甲酯

CAS号82032-43-7

分子式C6H8N2O3

分子量156.14

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  • Mass

    MS-IW-6659          
    methyl 5-hydroxymethyl-4-imidazolecarboxylate
    C6H8N2O3            (Mass of molecular ion:    156)
    

       Source Temperature: 170 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          15.0       7.8
          17.0       2.0
          18.0      10.2
          26.0       1.0
          27.0       1.2
          28.0       9.3
          29.0       2.6
          31.0       3.5
          39.0       2.0
          40.0       6.4
          41.0       3.9
          42.0       8.5
          43.0       1.1
          44.0       1.6
          45.0       1.2
          52.0       5.4
          53.0       4.9
          54.0       1.3
          59.0       1.3
          67.0       5.6
          68.0       9.9
          69.0       6.1
          70.0       2.7
          79.0       4.0
          80.0       2.1
          94.0       1.1
          95.0      34.2
          96.0      25.0
          97.0       5.8
         107.0      16.8
         108.0       2.0
         109.0       2.6
         121.0       1.5
         123.0      48.0
         124.0     100.0
         125.0      14.1
         126.0       1.3
         127.0      14.1
         128.0       1.0
         139.0       1.8
         141.0       4.0
         155.0       9.1
         156.0      30.1
         157.0       4.4
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H8 N2 O3 0.041 g : 0.5 ml DMSO-d6
    methyl 5-hydroxymethyl-4-imidazolecarboxylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.7 B 7.67 C 5.4 D 4.77 E 3.755

         Hz     ppm     Int.
    

       5063.03  12.669     29
       3063.38   7.666    112
       2177.65   5.449     34
       1904.99   4.767    178
       1904.57   4.766    178
       1887.26   4.723     44
       1884.48   4.716     35
       1881.92   4.709     30
       1881.27   4.708     28
       1878.71   4.701     24
       1876.79   4.697     21
       1876.36   4.696     22
       1500.92   3.756   1000
    

KBr disc



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