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4-Formylbenzoic acid

Product Name 4-Formylbenzoic acid

CAS619-66-9

MFC8H6O3

MW150.13

¹³CNMR

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

    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

    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

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