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对醛基苯甲酸

CAS号619-66-9

分子式C8H6O3

分子量150.13

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  • Mass

    MS-NW-8858          
    terephthalaldehydic acid
    C8H6O3              (Mass of molecular ion:    150)
    

       Source Temperature: 190 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          27.0       1.3
          28.0       1.4
          29.0       1.5
          38.0       1.9
          39.0       4.9
          45.0       1.4
          50.0      10.1
          51.0      14.4
          52.0       2.8
          53.0       1.5
          65.0      22.1
          66.0       2.7
          73.0       1.0
          74.0       5.1
          75.0       5.6
          76.0       5.8
          77.0      14.3
          78.0       1.4
          93.0       4.2
         103.0       2.4
         104.0       2.1
         105.0      12.1
         106.0       1.2
         121.0      32.3
         122.0       3.7
         133.0       6.8
         149.0     100.0
         150.0      86.7
         151.0       8.6
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C8 H6 O3 0.042 g : 0.5 ml DMSO-d6
    terephthalaldehydic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 10.130 C 8.145 D 8.039

         Hz     ppm     Int.
    

        907.32  10.131    831
        736.04   8.219    191
        734.08   8.197    102
        729.59   8.147    169
        727.54   8.124    945
        722.56   8.068   1000
        720.31   8.043    233
        716.11   7.996    133
        714.84   7.982    196
        714.06   7.973    241
        711.33   7.943     44
        710.35   7.932     38
        709.57   7.923     32
        709.18   7.919     30
        708.69   7.914     29
    


  • 1H NMR 399.65 MHz
    C8 H6 O3 0.039 g : 0.5 ml DMSO-d6
    terephthalaldehydic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.5 B 10.139 C 8.165 D 8.047

         Hz     ppm     Int.
    

       4052.09  10.140   1000
       3268.30   8.178    603
       3259.96   8.158    853
       3227.48   8.076     22
       3226.20   8.073     24
       3225.56   8.071     29
       3219.58   8.057    904
       3217.87   8.052    322
       3212.95   8.040    269
       3211.24   8.036    625
    

in DMSO-d6



KBr disc



nujol mull



4880 A,150M,powder