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24964-64-5

3-氰基苯甲醛(24964-64-5)质谱(MS)

产品名称:3-氰基苯甲醛

CAS:24964-64-5

分子式:C8H5NO

分子量: 131.13

InChI:InChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H

InChIKey: HGZJJKZPPMFIBU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7190          
    m-formylbenzonitrile
    C8H5NO              (Mass of molecular ion:    131)
    

       Source Temperature: 220 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       1.9
          28.0       3.4
          29.0       3.4
          37.0       2.8
          38.0       2.5
          39.0       3.5
          49.0       2.3
          50.0      13.3
          51.0      10.7
          52.0       3.7
          61.0       1.7
          62.0       1.7
          63.0       2.3
          64.0       1.2
          73.0       1.9
          74.0       5.2
          75.0      16.1
          76.0      21.9
          77.0       3.4
          99.0       2.0
         100.0       1.2
         101.0       1.3
         102.0      53.0
         103.0      11.7
         104.0       1.0
         130.0     100.0
         131.0      66.3
         132.0       6.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H5 N O 0.041 g : 0.5 ml CDCl3
    m-formylbenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.07 B 8.18 C 8.16 D 7.93 E 7.734

         Hz     ppm     Int.
    

        901.90  10.071   1000
        734.03   8.196    722
        732.42   8.178    959
        730.81   8.161    293
        727.44   8.123    259
        725.83   8.105    410
        724.22   8.087    188
        716.46   8.000    134
        714.92   7.983    219
        713.82   7.971     90
        713.23   7.964    131
        708.76   7.914    322
        707.15   7.896    464
        705.54   7.878    215
        698.58   7.801    342
        697.05   7.784    128
        690.45   7.710    324
        683.94   7.637     67
        682.69   7.623    117
    

in CDCl3

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KBr disc

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nujol mull

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