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598-65-2

N,N-二甲基胍硫酸盐(598-65-2)质谱(MS)

分子式:C3H11N3O4S

分子量: 185.2

InChI:InChI=1S/C3H9N3.H2O4S/c1-6(2)3(4)5;1-5(2,3)4/h1-2H3,(H3,4,5);(H2,1,2,3,4)

InChIKey: ACPFLXJEPKOPGF-UHFFFAOYSA-N

Smiles:C(N)(=N)N(C)C.S(O)(O)(=O)=O

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    Mass

    MS-NW-7929          
    1,1-dimethylguanidine sulfate
    C3H9N3 1/2H2O4S     (Mass of molecular ion:     87)
    

       Source Temperature: 210 °C
       Sample Temperature: 220 °C
       Direct, 75 eV
    

          12.0       1.0
          13.0       3.3
          14.0       1.9
          15.0       7.8
          16.0       8.1
          17.0      12.0
          18.0      19.0
          21.0       1.1
          26.0       1.3
          27.0       4.3
          28.0      27.3
          29.0       2.1
          30.0       6.4
          39.0       1.4
          40.0       3.7
          41.0       7.3
          42.0      52.1
          43.0      21.5
          44.0     100.0
          45.0      46.5
          46.0       1.3
          48.0       3.9
          55.0       1.0
          58.0       3.1
          60.0       1.4
          64.0       5.5
          69.0       1.9
          70.0       1.4
          71.0       1.3
          72.0       3.3
          80.0       4.7
          87.0       7.9
         125.0       1.0
         126.0       1.8
         155.0       1.1
    

parameter in D2O

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    1H NMR 300 MHz
    C3 H9 N3 0.047 g : 0.5 ml D2O
    1,1-dimethylguanidine sulfate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.84 D(B) 3.045

         Hz     ppm     Int.
    

       1452.00   4.840     54
        913.49   3.045   1000
    

D2O

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KBr disc

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nujol mull

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