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142-63-2

哌嗪(六水)(142-63-2)质谱(MS)

产品名称:哌嗪(六水)

CAS:142-63-2

分子式:C4H22N2O6

分子量: 194.23

InChI:InChI=1S/C4H10N2.6H2O/c1-2-6-4-3-5-1;;;;;;/h5-6H,1-4H2;6*1H2

InChIKey: AVRVZRUEXIEGMP-UHFFFAOYSA-N

Smiles:C1NCCNC1.O.O.O.O.O.O

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    Mass

    MS-NW-1759          
    piperazine
    C4H10N2 (H2O)       (Mass of molecular ion:     86)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       5.6
          17.0       1.1
          18.0       5.2
          26.0       4.2
          27.0      10.4
          28.0      41.1
          29.0      50.1
          30.0      41.7
          31.0       2.5
          32.0       1.1
          40.0       1.7
          41.0       6.5
          42.0      12.5
          43.0       9.8
          44.0     100.0
          45.0       2.5
          54.0       3.0
          55.0       3.7
          56.0      28.9
          57.0      26.7
          58.0       1.4
          59.0       1.5
          83.0       1.3
          85.0      21.1
          86.0      22.0
          87.0       1.1
    

parameter in D2O

parameter in CDCl3

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    1H NMR 300 MHz
    C4 H10 N2 0.039 g : 0.5 ml D2O
    piperazine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.751

         Hz     ppm     Int.
    

        825.30   2.751   1000
    

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    1H NMR 300 MHz
    C4 H10 N2 0.040 g : 0.5 ml CDCl3
    piperazine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.840 D(B) 1.66

         Hz     ppm     Int.
    

        852.00   2.840   1000
        498.60   1.662    250
    

in CDCl3

in D2O

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CCl4 solution

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KBr disc

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liquid film

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nujol mull

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