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1675-69-0

壬二腈(1675-69-0)核磁图(13CNMR)

产品名称:壬二腈

CAS:1675-69-0

分子式:C9H14N2

分子量: 150.22

InChI:InChI=1S/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2

InChIKey: QXOYPGTWWXJFDI-UHFFFAOYSA-N

Smiles:C(#N)CCCCCCCC#N

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    Mass

    MS-IW-7343          
    azelanitrile
    C9H14N2             (Mass of molecular ion:    150)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.3
          18.0       1.3
          26.0       1.8
          27.0      15.6
          28.0      10.0
          29.0      13.8
          30.0       4.6
          38.0       1.3
          39.0      19.4
          40.0       4.5
          41.0      79.8
          42.0      15.0
          43.0       8.5
          44.0       2.1
          51.0       2.2
          52.0       3.4
          53.0       8.2
          54.0      41.3
          55.0      65.5
          56.0       5.5
          57.0       1.3
          65.0       1.7
          66.0       2.5
          67.0      12.9
          68.0      15.7
          69.0      59.4
          70.0       3.7
          77.0       2.2
          79.0       3.0
          80.0       3.1
          81.0       7.5
          82.0     100.0
          83.0      90.6
          84.0       5.5
          91.0       1.8
          93.0      10.4
          94.0       4.9
          95.0       2.4
          96.0      24.2
          97.0       5.4
         107.0       1.3
         108.0       1.7
         110.0      51.8
         111.0       4.2
         121.0       3.3
         122.0       2.6
         149.0       1.5
         151.0       2.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H14 N2 0.05 ml : 0.5 ml CDCl3
    azelanitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.361 B 1.668 C 1.477 D 1.383

         Hz     ppm     Int.
    

        950.68   2.379    550
        948.12   2.373     45
        943.60   2.362   1000
        936.52   2.344    569
        681.88   1.707     76
        675.05   1.690    205
        667.11   1.670    264
        659.79   1.651    257
        652.59   1.633    115
        605.83   1.516     84
        598.51   1.498    170
        596.31   1.493    131
        591.43   1.480    225
        590.45   1.478    205
        585.57   1.466    125
        583.01   1.459    197
        575.93   1.442    106
        566.89   1.419     31
        563.60   1.411     94
        559.94   1.402     80
        556.88   1.394    111
        556.03   1.392     94
        549.56   1.376    100
        546.14   1.367     44
        545.17   1.365     45
        543.58   1.361     46
        541.02   1.354     54
    

in CDCl3

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liquid film

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