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1823-91-2

α-甲基苯腈(1823-91-2)Raman光谱

产品名称:α-甲基苯腈

CAS:1823-91-2

分子式:C9H9N

分子量: 131.17

InChI:InChI=1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3

InChIKey: NVAOLENBKNECGF-UHFFFAOYSA-N

Smiles:C1(C=CC=CC=1)C(C)C#N

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    Mass

    MS-NW-4643          
    2-phenylpropionitrile
    C9H9N               (Mass of molecular ion:    131)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       2.2
          38.0       1.4
          39.0       5.5
          43.0       1.6
          50.0       4.5
          51.0      10.3
          52.0       2.4
          62.0       1.7
          63.0       4.7
          64.0       1.7
          65.0       2.0
          74.0       1.5
          75.0       1.5
          76.0       1.8
          77.0       9.5
          78.0       4.9
          79.0       1.2
          88.0       1.2
          89.0      10.6
          90.0       3.2
          91.0       1.5
         102.0       1.5
         103.0       6.9
         104.0       7.6
         105.0       2.9
         116.0     100.0
         117.0       9.4
         130.0       4.3
         131.0      34.5
         132.0       3.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H9 N 0.04 ml : 0.5 ml CDCl3
    2-phenylpropionitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.51 to 7.16 B 3.868 C 1.605 J(B,C)=7.3HZ.

         Hz     ppm     Int.
    

        660.06   7.371     48
        658.63   7.355    154
        657.13   7.338   1000
        654.38   7.307     85
        653.63   7.299     64
        647.94   7.235     26
        357.75   3.995     31
        350.44   3.913     94
        343.13   3.832    101
        335.94   3.752     38
        147.38   1.646    720
        145.25   1.622     28
        140.13   1.565    648
        138.00   1.541     26
    

in CDCl3

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liquid film

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