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43036-06-2

N-2-氰乙基吡咯(43036-06-2)Raman光谱

产品名称:N-2-氰乙基吡咯

CAS:43036-06-2

分子式:C7H8N2

分子量: 120.15

InChI:InChI=1S/C7H8N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3,7H2

InChIKey: IYOLJLGYJMJLSU-UHFFFAOYSA-N

Smiles:N1(CCC#N)C=CC=C1

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    Mass

    MS-NW-8543          
    3-(1-pyrrolyl)propionitrile
    C7H8N2              (Mass of molecular ion:    120)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          26.0       2.7
          27.0      10.3
          28.0       7.7
          37.0       1.9
          38.0       4.7
          39.0      12.8
          40.0       5.8
          41.0       5.7
          50.0       3.1
          51.0       6.3
          52.0       6.5
          53.0      34.8
          54.0       4.5
          64.0       1.4
          65.0       3.5
          66.0       3.4
          67.0       7.4
          78.0       7.7
          79.0       2.1
          80.0     100.0
          81.0       6.0
          92.0       6.5
          93.0       1.5
         119.0       2.1
         120.0      51.0
         121.0       4.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H8 N2 0.05 ml : 0.5 ml CDCl3
    3-(1-pyrrolyl)propionitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.661 B 6.161 C 4.073 D 2.648 J(A,B)=2.1HZ

         Hz     ppm     Int.
    

        602.25   6.725     47
        598.69   6.685    557
        596.63   6.662    944
        594.50   6.639    645
        590.88   6.598     58
        589.06   6.578     40
        587.63   6.562     31
        587.13   6.556     30
        558.50   6.237     37
        558.00   6.231     40
        553.81   6.184    722
        551.69   6.161   1000
        549.56   6.137    618
        545.75   6.094     58
        542.88   6.062     33
        542.19   6.054     31
        371.44   4.148    366
        369.31   4.124     77
        368.69   4.117     74
        364.81   4.074    781
        358.19   4.000    445
        246.06   2.748     40
        243.44   2.719    484
        240.56   2.687     72
        239.81   2.678     75
        239.50   2.675     76
        236.88   2.645    883
        230.19   2.571    406
        226.13   2.525     30
        225.38   2.517     30
    

in CDCl3

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liquid film

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