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72-40-2

4-氨基-5-咪唑甲酰胺盐酸盐(72-40-2)核磁图(13CNMR)

分子式:C4H7ClN4O

分子量: 162.58

InChI:InChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H

InChIKey: MXCUYSMIELHIQL-UHFFFAOYSA-N

Smiles:C1(N=CNC=1N)C(=O)N.Cl

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    Mass

    MS-NW-6203          
    4-amino-5-imidazolecarboxamide hydrochloride
    C4H6N4O HCl         (Mass of molecular ion:    126)
    

       Source Temperature: 180 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          16.0       1.3
          17.0       2.1
          18.0       3.6
          27.0       5.6
          28.0      43.5
          29.0       9.3
          35.0       9.4
          36.0      60.5
          37.0       3.3
          38.0      19.5
          39.0       2.2
          40.0       3.3
          41.0       1.4
          42.0       1.3
          43.0       8.9
          44.0      11.2
          45.0       7.4
          53.0       7.1
          54.0      30.9
          55.0      19.1
          56.0       6.6
          66.0       1.2
          67.0       1.4
          68.0       1.9
          71.0       2.8
          81.0       9.3
          82.0       6.1
          83.0       1.3
         108.0       3.2
         109.0      57.9
         110.0      13.2
         126.0     100.0
         127.0       6.3
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C4 H6 N4 O 0.033 g : 0.5 ml DMSO-d6
    4-amino-5-imidazolecarboxamide hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.634

         Hz     ppm     Int.
    

       3450.93   8.635   1000
    

D2O

in DMSO-d6

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KBr disc

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nujol mull

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