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1453-58-3

3-甲基吡唑(1453-58-3)质谱(MS)

产品名称:3-甲基吡唑

CAS:1453-58-3

分子式:C4H6N2

分子量: 82.1

InChI:InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)

InChIKey: XKVUYEYANWFIJX-UHFFFAOYSA-N

Smiles:N1C=CC(C)=N1

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    Mass

    MS-NW-4920          
    3-methylpyrazole
    C4H6N2              (Mass of molecular ion:     82)
    

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

          14.0       1.3
          15.0       4.5
          18.0       1.6
          26.0       4.8
          27.0      15.3
          28.0      16.6
          29.0       3.8
          30.0       1.2
          37.0       1.2
          38.0       2.0
          39.0       4.6
          40.0       6.8
          41.0       8.8
          42.0      11.2
          43.0       1.2
          50.0       4.2
          51.0       5.7
          52.0       4.4
          53.0      11.8
          54.0      27.1
          55.0       8.3
          56.0       1.5
          66.0       1.0
          67.0       1.5
          81.0      59.0
          82.0     100.0
          83.0       5.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H6 N2 0.02 ml : 0.5 ml CDCl3
    3-methylpyrazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.88 B 7.480 C 6.057 D 2.339

         Hz     ppm     Int.
    

        974.19  10.878    217
        670.81   7.491    124
        668.88   7.469    129
        543.88   6.073    113
        543.25   6.066    123
        542.56   6.059     90
        541.88   6.051    122
        541.31   6.045    120
        210.06   2.346    618
        209.56   2.340   1000
        209.06   2.335    695
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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