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5-(HYDROXYMETHYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER

Product Name 5-(HYDROXYMETHYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER

CAS82032-43-7

MFC6H8N2O3

MW156.14

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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



nujol mull



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