626-15-3

1,3-二(溴甲基)苯(626-15-3)红外图谱(IR1)

产品名称:1,3-二(溴甲基)苯

CAS:626-15-3

分子式:C8H8Br2

分子量: 263.96

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

InChIKey: OXHOPZLBSSTTBU-UHFFFAOYSA-N

Smiles:C1(CBr)=CC=CC(CBr)=C1

Mass

MS-NW-1775          
alpha,alpha'-dibromo-m-xylene
C8H8Br2             (Mass of molecular ion:    262)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.4
      26.0       1.0
      27.0       3.1
      37.0       1.5
      38.0       4.4
      39.0      12.5
      49.0       1.0
      50.0      10.0
      51.0      26.5
      51.5       1.6
      52.0      15.4
      53.0       1.7
      61.0       1.8
      62.0       4.6
      63.0      10.6
      64.0       2.1
      65.0       2.8
      74.0       3.8
      75.0       3.3
      76.0       4.2
      77.0      20.3
      78.0      19.5
      79.0       1.7
      80.0       1.2
      81.0       1.7
      82.0       1.3
      89.0       2.0
      91.0       2.0
      92.0       1.8
     102.0       6.2
     103.0      22.2
     104.0     100.0
     105.0      10.5
     182.0       1.7
     183.0      86.0
     184.0       9.3
     185.0      84.4
     186.0       7.5
     261.0       1.0
     262.0       4.7
     263.0       2.4
     264.0       8.5
     265.0       1.7
     266.0       4.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ Br₂	0.12 g : 0.5 ml CDCl₃
alpha,alpha'-dibromo-m-xylene

    Assign.     Shift(ppm)

      A             7.39
      B             7.31
      C             7.29
      D             4.445
     
     CONFIRMED BY LAOCN PROGRAM

     Hz     ppm     Int.

    662.25   7.395    104
    654.31   7.306    559
    653.06   7.292    371
    398.19   4.447   1000
    393.00   4.389     22

in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

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