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544-13-8

戊二腈(544-13-8)核磁图(13CNMR)

产品名称:戊二腈

CAS:544-13-8

分子式:C5H6N2

分子量: 94.11

InChI:InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2

InChIKey: ZTOMUSMDRMJOTH-UHFFFAOYSA-N

Smiles:C(#N)CCCC#N

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    Mass

    MS-NW-4216          
    glutaronitrile
    C5H6N2              (Mass of molecular ion:     94)
    

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

          15.0       1.5
          26.0       6.8
          27.0      19.4
          28.0      27.3
          37.0       3.4
          38.0       4.6
          39.0       8.1
          40.0      10.8
          41.0     100.0
          42.0       3.5
          51.0       4.1
          52.0       9.9
          53.0       2.0
          54.0      97.2
          55.0       3.4
          63.0       1.4
          64.0       2.4
          65.0       1.1
          66.0       4.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H6 N2 0.02 ml : 0.5 ml CDCl3
    glutaronitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.561 B 2.061

         Hz     ppm     Int.
    

        237.81   2.656    137
        236.63   2.643    166
        235.69   2.632     86
        232.00   2.591     82
        229.75   2.566   1000
        223.75   2.499    308
        222.94   2.490    247
        222.13   2.481    118
        190.69   2.130    177
        189.81   2.120    171
        183.81   2.053    204
        183.06   2.044    132
        182.50   2.038    121
        176.94   1.976     98
        175.75   1.963    107
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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