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1443-80-7

对氰基苯乙酮(1443-80-7)红外图谱(IR2)

产品名称:对氰基苯乙酮

CAS:1443-80-7

分子式:C9H7NO

分子量: 145.16

InChI:InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3

InChIKey: NLPHXWGWBKZSJC-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6192          
    p-acetylbenzonitrile
    C9H7NO              (Mass of molecular ion:    145)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       2.9
          27.0       1.4
          37.0       1.2
          38.0       1.3
          39.0       2.0
          42.0       1.5
          43.0      18.0
          49.0       1.0
          50.0       6.5
          51.0       7.8
          52.0       1.7
          62.0       1.3
          63.0       1.9
          64.0       1.1
          65.0       1.1
          74.0       2.8
          75.0      10.2
          76.0       7.1
          89.0       1.1
         102.0      47.6
         103.0       5.1
         130.0     100.0
         131.0       9.6
         145.0      17.2
         146.0       1.9
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H7 N O 0.042 g : 0.5 ml CDCl3
    p-acetylbenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.060 B 7.791 C 2.659

         Hz     ppm     Int.
    

       3227.29   8.076     39
       3225.83   8.072    241
       3225.22   8.071    159
       3223.88   8.067     86
       3219.12   8.055     92
       3217.65   8.052    180
       3217.16   8.050    262
       3215.58   8.046     54
       3119.51   7.806     52
       3118.04   7.802    270
       3117.43   7.801    188
       3115.97   7.797     94
       3111.21   7.785     83
       3109.86   7.782    147
       3109.25   7.780    247
       3107.79   7.777     44
       1065.80   2.667     33
       1062.99   2.660   1000
       1059.81   2.652     31
    

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    1H NMR 89.56 MHz
    C9 H7 N O 0.041 g : 0.5 ml CDCl3
    p-acetylbenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.042 B 7.788 C 2.650

         Hz     ppm     Int.
    

        725.94   8.106    100
        725.19   8.098     61
        724.00   8.084     41
        719.38   8.033     52
        717.19   8.008    182
        715.94   7.994     44
        701.88   7.837     37
        700.63   7.824    182
        698.44   7.799     56
        693.81   7.747     38
        692.63   7.734     59
        691.88   7.726    102
        237.44   2.652   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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