2-Fluorobiphenyl(321-60-8) ¹H NMR

Product Name2-Fluorobiphenyl

CAS 321-60-8

Molecular FormulaC12H9F

Molecular Weight172.2

InChIInChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

InChIKey KLECYOQFQXJYBC-UHFFFAOYSA-N

SmilesC1(C2=CC=CC=C2)=CC=CC=C1F

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Mass

MS-NW-6602          
2-fluorobiphenyl
C12H9F              (Mass of molecular ion:    172)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      39.0       1.6
      50.0       2.4
      51.0       3.0
      57.0       1.0
      62.0       1.2
      63.0       2.8
      73.0       3.2
      74.0       2.4
      75.0       3.3
      76.0       3.1
      85.0       6.2
      85.5       1.1
      86.0       4.0
      94.0       1.4
      99.0       1.3
     107.0       1.0
     120.0       2.9
     125.0       1.7
     126.0       1.1
     133.0       4.1
     144.0       1.8
     145.0       1.2
     146.0       4.9
     150.0       1.8
     151.0       3.8
     152.0       4.8
     153.0       1.6
     157.0       1.5
     168.0       1.0
     169.0       3.4
     170.0      18.4
     171.0      27.7
     172.0     100.0
     173.0      12.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₉ F	0.051 g : 0.5 ml CDCl₃
2-fluorobiphenyl

    Assign.     Shift(ppm)

      A             7.543
      B          7.45 to 7.40
      C             7.355
      D             7.286
      E             7.186
      G             7.135

     Hz     ppm     Int.

   3026.49   7.573     30
   3024.41   7.568     34
   3020.87   7.559    297
   3019.29   7.555    584
   3017.70   7.551    449
   3015.63   7.546    150
   3014.16   7.543    186
   3013.55   7.541    221
   3012.45   7.538    528
   3011.84   7.537    446
   3010.99   7.535    588
   3009.40   7.531    383
   3007.45   7.526     73
   2981.81   7.462     35
   2979.98   7.457     48
   2978.03   7.452    169
   2977.29   7.450    319
   2976.32   7.448    521
   2975.22   7.445    264
   2974.85   7.444    281
   2973.39   7.440    254
   2971.07   7.435    217
   2970.70   7.434    230
   2969.12   7.430   1000
   2967.65   7.426    734
   2965.45   7.421    428
   2962.89   7.414    309
   2961.55   7.411    476
   2960.82   7.409    415
   2959.72   7.406    308
   2957.89   7.402    263
   2948.85   7.379     31
   2946.53   7.373    236
   2945.07   7.370    445
   2943.73   7.366    246
   2941.65   7.361     35
   2939.94   7.357    169
   2937.74   7.351    400
   2935.42   7.345    133
   2931.76   7.336    113
   2930.42   7.333    187
   2929.08   7.330    103
   2924.19   7.317    112
   2922.36   7.313    107
   2919.19   7.305    116
   2916.75   7.299    181
   2916.02   7.297    160
   2914.92   7.294    156
   2914.18   7.292    155
   2911.74   7.286    180
   2911.01   7.284    153
   2909.91   7.282    168
   2908.57   7.278    217
   2906.74   7.274    184
   2903.69   7.266    190
   2901.73   7.261    175
   2879.15   7.205    323
   2877.81   7.201    378
   2873.78   7.191     37
   2871.70   7.186    448
   2870.36   7.183    516
   2867.80   7.176     30
   2866.33   7.173     33
   2864.14   7.167    222
   2862.92   7.164    232
   2861.21   7.160    276
   2859.86   7.156    231
   2853.03   7.139    206
   2851.81   7.136    202
   2850.46   7.133    275
   2849.12   7.130    256
   2842.29   7.112    194
   2840.94   7.109    187

in CDCl3