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Back ChemicalBook Home>CAS DataBase List>1667-11-4More Spectrum> 4-(Chloromethyl)biphenyl(1667-11-4) MS

1667-11-4

4-(Chloromethyl)biphenyl(1667-11-4) MS

Molecular FormulaC13H11Cl

Molecular Weight202.68

InChIInChI=1S/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2

InChIKey HLQZCRVEEQKNMS-UHFFFAOYSA-N

SmilesC1(C2=CC=CC=C2)=CC=C(CCl)C=C1

  • 4-(Chloromethyl)biphenyl(1667-11-4) MS
    Mass

    MS-NW-7199          
    4-(chloromethyl)biphenyl
    C13H11Cl            (Mass of molecular ion:    202)
    

       Source Temperature: 220 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          39.0       2.5
          50.0       1.3
          51.0       2.2
          57.5       1.3
          62.0       1.2
          63.0       3.3
          65.0       1.2
          69.5       2.4
          70.5       1.9
          74.0       1.1
          75.0       1.2
          76.0       1.8
          77.0       1.1
          81.5       1.6
          82.0       6.2
          82.5       6.9
          83.0       4.2
          83.5       5.8
          87.0       1.0
          89.0       1.9
         101.0       3.1
         102.0       1.7
         115.0       3.4
         128.0       2.0
         139.0       2.7
         151.0       1.1
         152.0       7.7
         153.0       1.2
         163.0       1.9
         164.0       2.3
         165.0      19.6
         166.0       5.3
         167.0     100.0
         168.0      15.0
         169.0       1.1
         202.0      27.1
         203.0       4.1
         204.0       9.0
         205.0       1.3
    

400 MHz in CDCl3

90 MHz in CDCl3

  • 4-(Chloromethyl)biphenyl(1667-11-4) MS

    1H NMR 399.65 MHz
    C13 H11 Cl 0.045 g : 0.5 ml CDCl3
    4-(chloromethyl)biphenyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.57 B 7.44 C 7.44 D 7.349 E 4.614

         Hz     ppm     Int.
    

       3030.03   7.582    489
       3029.30   7.580    532
       3027.10   7.575    155
       3023.44   7.566    416
       3022.09   7.562    726
       3021.48   7.561    789
       3019.65   7.556    132
       3017.09   7.550     66
       3013.06   7.540     32
       2979.98   7.457    137
       2978.03   7.452    648
       2977.66   7.451    619
       2976.93   7.449    365
       2975.10   7.445    145
       2971.56   7.436    252
       2969.60   7.431    810
       2968.14   7.427    261
       2963.38   7.415    136
       2961.91   7.412    234
       2959.72   7.406     52
       2943.97   7.367    107
       2942.63   7.364    193
       2941.41   7.360    109
       2937.38   7.350     78
       2935.30   7.345    186
       2933.11   7.340     59
       2929.32   7.330     50
       2927.98   7.327     83
       2926.76   7.324     43
       1843.99   4.615   1000
       1842.41   4.611    320
    

  • 4-(Chloromethyl)biphenyl(1667-11-4) MS

    1H NMR 89.56 MHz
    C13 H11 Cl 0.035 g : 0.5 ml CDCl3
    4-(chloromethyl)biphenyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.68 to 7.19 B 4.613

         Hz     ppm     Int.
    

        683.44   7.632    201
        682.56   7.622    166
        681.13   7.606    169
        680.69   7.601    166
        679.19   7.584    133
        678.31   7.574    170
        677.13   7.561    246
        674.88   7.536    714
        673.69   7.523    668
        671.00   7.493    312
        669.25   7.473    767
        666.56   7.443    391
        665.63   7.433    359
        663.44   7.408    245
        662.94   7.403    289
        661.00   7.381    312
        660.13   7.371    364
        659.06   7.359    187
        658.38   7.352    303
        655.63   7.321    121
        654.06   7.304     70
        413.19   4.614   1000
    

in CDCl3

  • 4-(Chloromethyl)biphenyl(1667-11-4) MS

KBr disc

  • 4-(Chloromethyl)biphenyl(1667-11-4) MS

nujol mull

  • 4-(Chloromethyl)biphenyl(1667-11-4) MS

4880 A,200 M,powder

  • 4-(Chloromethyl)biphenyl(1667-11-4) MS

4-(Chloromethyl)biphenyl(1667-11-4) MS Atlas of Related Products

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