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Back ChemicalBook Home>CAS DataBase List>352-32-9More Spectrum> p-Fluorotoluene(352-32-9) 1H NMR

p-Fluorotoluene(352-32-9) 1H NMR

Product Namep-Fluorotoluene

CAS352-32-9

Molecular FormulaC7H7F

Molecular Weight110.13

InChIInChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

InChIKey WRWPPGUCZBJXKX-UHFFFAOYSA-N

SmilesC1(F)=CC=C(C)C=C1


  • Mass

    MS-NW-3004          
    p-fluorotoluene
    C7H7F               (Mass of molecular ion:    110)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          31.0       1.4
          38.0       1.1
          39.0       3.6
          44.0       1.0
          45.0       1.1
          50.0       2.3
          51.0       2.5
          55.0       1.3
          57.0       5.6
          59.0       1.2
          61.0       1.0
          62.0       1.7
          63.0       4.1
          75.0       1.4
          81.0       2.2
          83.0      11.5
          84.0       1.1
          89.0       1.8
          91.0       1.7
         107.0       3.6
         108.0       2.2
         109.0     100.0
         110.0      63.8
         111.0       4.6
    

90 MHz in CDCl3

parameter in acetone-d6


  • 1H NMR 89.56 MHz
    C7 H7 F 0.04 ml : 0.5 ml CDCl3
    p-fluorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.06 B 6.94 C 2.30

         Hz     ppm     Int.
    

        643.88   7.190     84
        643.31   7.184     94
        641.31   7.161     53
        640.69   7.154     56
        640.06   7.147     36
        638.19   7.126    114
        637.56   7.119    148
        636.88   7.112    114
        634.69   7.087    279
        632.69   7.065     90
        632.19   7.059     96
        631.75   7.054     95
        631.13   7.048     79
        629.25   7.027    317
        628.69   7.020    259
        627.19   7.004    441
        624.63   6.975     97
        620.88   6.933    107
        618.56   6.907    453
        616.13   6.880    103
        612.06   6.835     53
        609.69   6.808    136
        205.94   2.300   1000
        205.56   2.296   1000
    


  • 1H NMR 300 MHz
    C7 H7 F 15 mol% in acetone-d6
    p-fluorotoluene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.128 D(B) 6.933 D(C) 2.262 D(X) -5.36 J(A,A') 2.389 J(A,B) 8.439 J(A,B') 0.388 J(A,C) -0.726 J(A,X) 5.426 J(A',B) 0.388 J(A',B') 8.439 J(A',C) -0.726 J(A',X) 5.426 J(B,B') 2.878 J(B,C) 0.346 J(B,X) 8.966 J(B',C) 0.346 J(B',X) 8.966 J(C,X) 1.135 WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 49, 94 (1971) F-19 REFERENCE : FLUOROBENZENE, SOLVENT : DMSO, SUHR,H. BER.BUNSENGES. PHYS.CHEM. 68, 169 (1964)

         Hz     ppm     Int.
    

       2149.13   7.164     15
       2148.50   7.162     17
       2146.13   7.154    124
       2145.54   7.152    139
       2144.08   7.147     71
       2143.30   7.144     63
       2142.44   7.141     56
       2140.48   7.135    132
       2138.11   7.127    212
       2137.43   7.125    223
       2136.75   7.122    183
       2134.43   7.115     55
       2132.15   7.107    159
       2130.01   7.100     93
       2091.40   6.971     30
       2088.39   6.961    244
       2086.34   6.954     76
       2081.20   6.937    170
       2079.61   6.932    261
       2076.55   6.922     54
       2072.59   6.909    131
       2070.13   6.900    131
       2067.95   6.893     19
        678.58   2.262   1000
    

in CDCl3



liquid film



4880 A,200 M,liquid



PHOTOLYSIS IN DTBPO AT -70C



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