3-(fluorosulphonyl)benzoic acid (454-95-5) IR2

Product Name3-(fluorosulphonyl)benzoic acid

CAS 454-95-5

Molecular FormulaC7H5FO4S

Molecular Weight204.18

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Mass

MS-NW-9912          
m-(fluorosulfonyl)benzoic acid
C7H5FO4S            (Mass of molecular ion:    204)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.1
      28.0       1.4
      38.0       1.2
      39.0       4.0
      45.0       2.0
      50.0       7.5
      51.0       3.9
      53.0       1.3
      63.0       2.0
      64.0       2.5
      65.0      11.7
      74.0       3.8
      75.0       9.1
      76.0       6.9
      77.0       3.2
      81.0       1.8
      83.0       1.3
      92.0      13.6
      93.0       2.2
      95.0       2.4
     103.0       1.0
     121.0       2.2
     137.0       4.2
     159.0      13.9
     160.0       1.1
     187.0     100.0
     188.0       8.5
     189.0       5.3
     204.0      75.7
     205.0       6.7
     206.0       4.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₅ F O₄ S	0.033 g : 0.5 ml DMSO-d₆
m-(fluorosulfonyl)benzoic acid

    Assign.     Shift(ppm)

      A            14.
      B             8.491
      C             8.48
      D             8.411
      E             7.966

     Hz     ppm     Int.

   3395.51   8.497    978
   3393.55   8.492   1000
   3384.28   8.469    595
   3366.94   8.425    400
   3365.97   8.423    450
   3358.89   8.405    445
   3357.91   8.403    476
   3191.65   7.987    414
   3183.59   7.966    745
   3179.93   7.957     52
   3178.96   7.955     45
   3175.78   7.947    360

in DMSO-d6

KBr disc

nujol mull

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