1-Bromo-3,5-difluorobenzene(461-96-1) ¹³C NMR

Product Name1-Bromo-3,5-difluorobenzene

CAS 461-96-1

Molecular FormulaC6H3BrF2

Molecular Weight192.99

InChIInChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H

InChIKey JHLKSIOJYMGSMB-UHFFFAOYSA-N

SmilesC1(Br)=CC(F)=CC(F)=C1

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8148          
1-bromo-3,5-difluorobenzene
C6H3BrF2            (Mass of molecular ion:    192)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       2.3
      37.0       1.8
      38.0       1.1
      50.0       3.2
      56.0       1.7
      57.0       1.6
      61.0       3.6
      62.0       6.7
      63.0      28.6
      64.0       1.5
      68.0       4.9
      69.0       2.0
      73.0       1.1
      74.0       3.6
      75.0       1.4
      81.0       2.8
      87.0       1.1
      92.0       2.1
      93.0       4.9
      94.0       2.5
      96.0       3.6
      97.0       3.6
     112.0       6.1
     113.0      91.1
     114.0       6.1
     192.0     100.0
     193.0       6.9
     194.0      99.0
     195.0       6.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Br F₂	0.05 ml : 0.5 ml CDCl₃
1-bromo-3,5-difluorobenzene

    Assign.     Shift(ppm)

      A             7.047
      B             6.756

     Hz     ppm     Int.

   2827.88   7.076     96
   2825.44   7.070    197
   2823.00   7.064    210
   2821.04   7.059    978
   2819.95   7.057    508
   2818.73   7.053   1000
   2817.75   7.051    500
   2815.55   7.046    462
   2814.45   7.043    960
   2813.23   7.040    508
   2812.13   7.037    973
   2810.18   7.032    222
   2807.86   7.026    216
   2805.30   7.020    111
   2711.55   6.785    241
   2709.23   6.780    427
   2706.91   6.774    224
   2705.32   6.770     37
   2704.71   6.768     38
   2702.64   6.763    460
   2700.32   6.757    791
   2698.00   6.751    429
   2693.60   6.740    246
   2691.41   6.735    428
   2689.09   6.729    227

in CDCl3