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454-95-5

3-(fluorosulphonyl)benzoic acid

Product Name 3-(fluorosulphonyl)benzoic acid

CAS454-95-5

MFC7H5FO4S

MW204.18

  • 454-95-5_ms_1
    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

  • 454-95-5_1hnmr_1

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

  • 454-95-5_13cnmr_1

KBr disc

  • 454-95-5_ir1_2

nujol mull

  • 454-95-5_ir2_1