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2739-97-1

2-吡啶乙腈(2739-97-1)核磁图(13CNMR)

产品名称:2-吡啶乙腈

CAS:2739-97-1

分子式:C7H6N2

分子量: 118.14

InChI:InChI=1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2

InChIKey: UKVQBONVSSLJBB-UHFFFAOYSA-N

Smiles:C1(CC#N)=NC=CC=C1

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    Mass

    MS-NW-9950          
    (2-pyridyl)acetonitrile
    C7H6N2              (Mass of molecular ion:    118)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          26.0       1.7
          27.0       2.4
          28.0       1.9
          37.0       2.2
          38.0       3.5
          39.0       5.3
          40.0       1.6
          41.0       1.8
          50.0       5.3
          51.0      17.7
          52.0       5.3
          53.0       1.1
          61.0       1.1
          62.0       2.1
          63.0       5.7
          64.0       8.7
          65.0       3.4
          76.0       1.1
          78.0      62.5
          79.0       3.8
          90.0       2.8
          91.0      17.9
          92.0       2.0
         117.0       1.3
         118.0     100.0
         119.0       8.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H6 N2 0.05 ml : 0.5 ml CDCl3
    (2-pyridyl)acetonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.563 B 7.720 C 7.41 D 7.26 E 3.964

         Hz     ppm     Int.
    

        771.00   8.609    109
        770.00   8.598    128
        769.25   8.590    135
        768.31   8.579    125
        766.19   8.556    129
        765.19   8.544    141
        764.38   8.535    142
        763.50   8.526    126
        701.50   7.833     78
        699.69   7.813     77
        693.88   7.748    174
        692.06   7.728    172
        686.25   7.663    175
        684.44   7.643    164
        666.31   7.440    230
        662.75   7.401     39
        662.31   7.396     40
        661.63   7.388     40
        658.31   7.351    159
        657.19   7.338    187
        655.88   7.324    122
        652.31   7.284    129
        651.69   7.277    116
        651.00   7.269    118
        650.38   7.262    105
        649.69   7.255    108
        649.13   7.248     94
        648.44   7.241     91
        644.88   7.201     87
        644.25   7.194     79
        643.56   7.186     77
        355.06   3.965   1000
    

in CDCl3

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liquid film

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