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598-12-9

硫酸甲酯胍(2:1)(598-12-9)红外图谱(IR1)

产品名称:硫酸甲酯胍(2:1)

CAS:598-12-9

分子式:C4H16N6O4S

分子量: 244.27

InChI:InChI=1S/2C2H7N3.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H4,3,4,5);(H2,1,2,3,4)

InChIKey: WTYJBGQERCCGAD-UHFFFAOYSA-N

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

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    Mass

    MS-IW-3880          
    1-methylguanidine sulfate
    C2H7N3 1/2H2O4S     (Mass of molecular ion:     73)
    

       Source Temperature: 180 °C
       Sample Temperature: 240 °C
       Direct, 75 eV
    

          12.0       1.7
          13.0       2.2
          14.0       2.1
          15.0      13.4
          16.0      50.6
          17.0      60.5
          18.0      19.5
          22.0       1.8
          26.0       2.7
          27.0      15.3
          28.0      79.7
          29.0      24.1
          30.0      95.1
          31.0      81.9
          32.0       2.6
          41.0       5.6
          42.0      47.5
          43.0      62.9
          44.0     100.0
          45.0       3.1
          48.0       4.4
          53.0       1.5
          55.0      11.0
          56.0      10.7
          57.0      13.6
          58.0       1.6
          60.0       2.8
          64.0       8.6
          68.0       1.1
          69.0       2.6
          72.0      11.5
          73.0      36.4
          74.0       5.7
          80.0       2.9
          83.0       1.3
          84.0       1.0
          94.0       1.2
          98.0       1.6
          99.0       1.0
         111.0       1.1
         112.0       1.7
         126.0       1.2
         140.0       1.0
         141.0       5.0
         155.0       2.6
    

parameter in D2O

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    1H NMR 300 MHz
    C2 H7 N3 0.028 g : 0.5 ml D2O
    1-methylguanidine sulfate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.831

         Hz     ppm     Int.
    

        849.30   2.831   1000
    

in D2O

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KBr disc

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nujol mull

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