4-甲砜基苯甲酸

产品名称 4-甲砜基苯甲酸

CAS号4052-30-6

分子式C8H8O4S

分子量200.21

¹³CNMR

Mass

MS2014-05039CW      
p-mesylbenzoic acid
C8H8O4S             (Mass of molecular ion:    200)

   Source Temperature: 250 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      15.0       2.0
      27.0       1.0
      38.0       1.2
      39.0       7.6
      45.0       2.6
      50.0      13.5
      51.0       9.0
      53.0       2.4
      62.0       1.1
      63.0       4.1
      64.0       1.9
      65.0      51.2
      66.0       3.0
      69.0       1.2
      73.0       1.0
      74.0       7.7
      75.0      11.4
      76.0      13.1
      77.0       2.6
      79.0       1.9
      81.0       5.6
      91.0       1.0
      92.0       1.5
      93.0       8.9
     103.0       5.0
     104.0       4.5
     107.0       1.1
     109.0       4.5
     120.0       3.1
     121.0      94.6
     122.0       7.3
     137.0       6.7
     138.0     100.0
     139.0       7.7
     140.0       1.0
     169.0       2.9
     183.0       2.2
     185.0      43.7
     186.0       3.8
     187.0       2.4
     200.0      40.6
     201.0       4.1
     202.0       2.3

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₈ O₄ S	0.040 g : 0.5 ml DMSO-d₆
p-mesylbenzoic acid

    Assign.     Shift(ppm)

      A            14.
      B     *1      8.195
      C     *1      8.084
      D             3.306

     Hz     ppm     Int.

   3281.76   8.212     37
   3280.05   8.208    213
   3278.13   8.203     90
   3273.43   8.191     93
   3271.50   8.186    311
   3269.79   8.182     74
   3236.25   8.098     58
   3234.54   8.094    312
   3232.61   8.089    106
   3227.70   8.077     75
   3225.99   8.073    213
   3224.28   8.068     46
   1321.64   3.307   1000

¹H NMR	89.56 MHz
C₈ H₈ O₄ S	0.037 g : 0.5 ml DMSO-d₆
p-mesylbenzoic acid

    Assign.     Shift(ppm)

      A            13.
      B     *1      8.16
      C     *1      8.09
      D             3.289

     Hz     ppm     Int.

    738.91   8.251     86
    738.03   8.241     51
    736.60   8.225     34
    732.54   8.180     49
    730.23   8.154    365
    725.83   8.105    355
    723.96   8.084     43
    723.30   8.077     53
    719.12   8.030     32
    717.81   8.015     61
    716.93   8.006     79
    294.60   3.290   1000

in DMSO-d6

KBr disc

nujol mull

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