5-Bromo-m-xylene(556-96-7) ¹³C NMR

Product Name5-Bromo-m-xylene

CAS 556-96-7

Molecular FormulaC8H9Br

Molecular Weight185.06

InChIInChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3

InChIKey LMFRTSBQRLSJHC-UHFFFAOYSA-N

SmilesC1(Br)=CC(C)=CC(C)=C1

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8664          
5-bromo-m-xylene
C8H9Br              (Mass of molecular ion:    184)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.3
      28.0       1.0
      38.0       2.2
      39.0       7.2
      50.0       4.1
      51.0      18.3
      51.5       1.5
      52.0       4.3
      53.0       2.4
      61.0       1.1
      62.0       3.1
      63.0       7.6
      64.0       1.8
      65.0       2.7
      74.0       1.9
      75.0       1.9
      76.0       1.6
      77.0      21.2
      78.0       8.1
      79.0      20.5
      80.0       1.4
      89.0       3.4
      90.0       3.4
      91.0       2.9
      92.0       3.7
      93.0       1.1
     102.0       2.4
     103.0      16.9
     104.0       9.0
     105.0      95.9
     106.0       8.5
     169.0       6.8
     171.0       6.6
     183.0       6.0
     184.0     100.0
     185.0      14.7
     186.0      97.6
     187.0       8.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ Br	0.05 ml : 0.5 ml CDCl₃
5-bromo-m-xylene

    Assign.     Shift(ppm)

      A             7.096
      B             6.863
      C             2.246

     Hz     ppm     Int.

   2836.79   7.099    335
   2836.18   7.097    348
   2744.51   6.868    126
   2743.77   6.866    159
   2743.04   6.864    170
   2742.31   6.862    153
    897.58   2.246   1000
    896.85   2.245    929

in CDCl3