1,2-Bis(bromomethyl)benzene(91-13-4) ¹³C NMR

Product Name1,2-Bis(bromomethyl)benzene

CAS 91-13-4

Molecular FormulaC8H8Br2

Molecular Weight263.96

InChIInChI=1S/C8H8Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2

InChIKey KGKAYWMGPDWLQZ-UHFFFAOYSA-N

SmilesC1(CBr)=CC=CC=C1CBr

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Mass

MS-NW-1626          
alpha,alpha'-dibromo-o-xylene
C8H8Br2             (Mass of molecular ion:    262)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       2.3
      38.0       2.7
      39.0       8.2
      50.0       8.3
      51.0      23.9
      51.5       1.5
      52.0       9.9
      53.0       1.1
      61.0       1.1
      62.0       2.7
      63.0       6.8
      64.0       1.1
      65.0       1.6
      74.0       2.8
      75.0       2.5
      76.0       3.5
      77.0      15.8
      78.0      16.1
      79.0       1.1
      89.0       1.3
      91.0       2.6
      92.0       2.3
     102.0       5.2
     103.0      19.2
     104.0     100.0
     105.0       9.3
     183.0      81.7
     184.0       7.8
     185.0      79.5
     186.0       7.0
     262.0       5.4
     264.0      10.4
     265.0       1.0
     266.0       5.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ Br₂	0.05 g : 0.5 ml CDCl₃
alpha,alpha'-dibromo-o-xylene

    Assign.     Shift(ppm)

      A          7.32 to 7.29
      B             4.639

     Hz     ppm     Int.

    658.56   7.354     40
    656.56   7.331    100
    655.81   7.323    127
    654.75   7.311    235
    653.88   7.302    252
    652.19   7.283    102
    650.13   7.260     47
    648.00   7.236     23
    644.50   7.197     26
    415.50   4.640   1000

in CDCl3