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

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

¹H NMR	89.56 MHz
C₈ H₅ N O	0.041 g : 0.5 ml CDCl₃
m-formylbenzonitrile

    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