105-07-7

4-氰基苯甲醛(105-07-7)红外图谱(IR1)

产品名称:4-氰基苯甲醛

CAS:105-07-7

分子式:C8H5NO

分子量: 131.13

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

InChIKey: WZWIQYMTQZCSKI-UHFFFAOYSA-N

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

Mass

MS-NW-8688          
p-formylbenzonitrile
C8H5NO              (Mass of molecular ion:    131)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.6
      28.0       1.4
      29.0       2.6
      37.0       2.2
      38.0       2.0
      39.0       2.6
      49.0       1.7
      50.0      12.3
      51.0      10.7
      51.5       1.2
      52.0       3.6
      61.0       1.2
      62.0       1.4
      63.0       1.7
      64.0       1.0
      73.0       1.3
      74.0       4.7
      75.0      15.5
      76.0      19.2
      77.0       2.9
      99.0       1.5
     101.0       1.0
     102.0      58.9
     103.0      13.2
     130.0     100.0
     131.0      69.7
     132.0       6.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₅ N O	0.043 g : 0.5 ml CDCl₃
p-formylbenzonitrile

    Assign.     Shift(ppm)

      A            10.117
      B             8.02
      C             7.87

     Hz     ppm     Int.

    906.52  10.122    658
    906.08  10.118   1000
    905.71  10.113    525
    724.73   8.093     68
    723.56   8.080    322
    722.75   8.071    274
    721.58   8.057    208
    717.26   8.009    340
    715.43   7.989    960
    715.14   7.986    958
    714.77   7.981    942
    714.11   7.974    370
    709.06   7.918    248
    708.40   7.910    706
    708.03   7.906    999
    707.67   7.902    846
    707.30   7.898    459
    705.91   7.882    227
    705.54   7.878    196
    702.69   7.847     71
    702.03   7.839     75
    701.59   7.834    137
    701.15   7.829    140
    700.42   7.821    195
    699.98   7.816    195
    699.61   7.812    217
    698.44   7.799     60
    698.00   7.794     47
    694.63   7.757     39
    693.90   7.748     41

in CDCl3