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329-98-6

苯甲基磺酰氟(329-98-6)红外图谱(IR1)

产品名称:苯甲基磺酰氟

CAS:329-98-6

分子式:C7H7FO2S

分子量: 174.19

InChI:InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey: YBYRMVIVWMBXKQ-UHFFFAOYSA-N

Smiles:C1(CS(F)(=O)=O)=CC=CC=C1

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    Mass

    MS-NW-1987          
    alpha-toluenesulfonyl fluoride
    C7H7FO2S            (Mass of molecular ion:    174)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          38.0       1.2
          39.0       6.6
          41.0       1.7
          45.5       1.1
          50.0       1.7
          51.0       3.3
          52.0       1.0
          62.0       1.4
          63.0       4.1
          64.0       1.3
          65.0      13.2
          89.0       3.1
          90.0       1.7
          91.0     100.0
          92.0       7.9
         174.0      15.0
         175.0       1.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H7 F O2 S 0.045 g : 0.5 ml CDCl3
    alpha-toluenesulfonyl fluoride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.42 B 4.564 J(B,F-19)=3.2HZ.

         Hz     ppm     Int.
    

        664.50   7.420   1000
        410.44   4.583    241
        407.19   4.547    239
    

in CDCl3

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KBr disc

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