2,5-Dibromotoluene(615-59-8) ¹H NMR

Product Name2,5-Dibromotoluene

CAS 615-59-8

Molecular FormulaC7H6Br2

Molecular Weight249.93

InChIInChI=1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChIKey QKEZTJYRBHOKHH-UHFFFAOYSA-N

SmilesC1(Br)=CC=C(Br)C=C1C

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Mass

MS-NW-9919          
2,5-dibromotoluene
C7H6Br2             (Mass of molecular ion:    248)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      37.0       1.8
      38.0       3.4
      39.0       8.2
      43.0       2.6
      44.0       8.6
      44.5       1.1
      45.0       1.4
      49.0       1.2
      50.0       4.7
      51.0       4.2
      61.0       3.5
      62.0       9.0
      63.0      19.8
      64.0       4.2
      74.0       3.5
      75.0       2.3
      84.0       5.3
      84.5       3.3
      85.0       6.4
      85.5       2.9
      86.0       3.6
      87.0       3.0
      88.0       2.5
      89.0      37.9
      90.0      40.3
      91.0       3.0
     117.0       1.6
     119.0       1.6
     124.0       1.2
     125.0       2.4
     126.0       1.2
     143.0       1.4
     168.0       5.3
     169.0      56.5
     170.0       9.5
     171.0      54.7
     172.0       4.2
     247.0       1.5
     248.0      51.1
     249.0       6.9
     250.0     100.0
     251.0       9.1
     252.0      48.7
     253.0       3.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Br₂	0.05 ml : 0.5 ml CDCl₃
2,5-dibromotoluene

    Assign.     Shift(ppm)

      A             7.317
      B             7.315
      C             7.117
      D             2.320
     
     J(A,C)=8.4HZ
     J(B,C)=2.4HZ
     J(B,D)=-0.7HZ
     J(C,D)=-0.5HZ

     Hz     ppm     Int.

   2928.96   7.329    325
   2925.17   7.320    249
   2924.44   7.318    246
   2922.73   7.314    262
   2922.00   7.312    262
   2920.41   7.308    389
   2849.85   7.131    166
   2849.37   7.130    158
   2847.41   7.125    156
   2846.92   7.124    148
   2841.43   7.110    139
   2840.82   7.109    135
   2838.99   7.104    133
   2838.38   7.103    127
    927.25   2.321   1000

in CDCl3