MESO-1,2,3,4-TETRABROMOBUTANE(2657-67-2) Raman

Product NameMESO-1,2,3,4-TETRABROMOBUTANE

CAS 2657-67-2

Molecular FormulaC4H6Br4

Molecular Weight373.71

InChIInChI=1/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2/t3-,4+

InChIKey HGRZLIGHKHRTRE-ZXZARUISNA-N

SmilesC(Br)[C@@H](Br)[C@@H](Br)CBr |&1:2,4,r|

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Mass

MS-IW-3480          
meso-1,2,3,4-tetrabromobutane
C4H6Br4             (Mass of molecular ion:    370)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       7.0
      27.0      30.3
      28.0       2.4
      37.0       1.7
      38.0       2.9
      39.0      15.0
      45.0       1.6
      49.0       2.0
      50.0       9.1
      51.0      25.1
      52.0       8.9
      53.0      35.5
      54.0       5.7
      79.0       3.4
      80.0       4.0
      81.0       3.5
      82.0       3.9
      93.0       4.6
      95.0       4.3
     105.0       8.9
     106.0       3.4
     107.0      13.5
     108.0       2.3
     109.0       4.3
     117.0       1.2
     119.0       4.4
     121.0       3.2
     131.0      28.0
     132.0      10.5
     133.0      34.4
     134.0      10.4
     135.0       7.2
     171.0       1.5
     173.0       2.8
     175.0       1.4
     185.0       5.7
     187.0      10.8
     189.0       5.2
     199.0       1.4
     211.0      50.9
     212.0       2.6
     213.0     100.0
     214.0       4.7
     215.0      48.6
     216.0       2.2
     291.0      27.8
     292.0       1.4
     293.0      81.1
     294.0       3.8
     295.0      79.1
     296.0       3.6
     297.0      25.7
     298.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₆ Br₄	0.047 g : 0.5 ml CDCl₃
meso-1,2,3,4-tetrabromobutane

    Assign.     Shift(ppm)

      A             4.589
      B     *1      4.126
      C     *1      3.963
     
     J(A,B)=1.4HZ
     J(A,C)=2.5HZ
     J(B,C)=-11.6HZ

     Hz     ppm     Int.

    416.13   4.647     64
    415.00   4.634    241
    413.63   4.619    445
    413.06   4.613    345
    412.50   4.606    496
    411.13   4.591   1000
    409.75   4.576    532
    409.19   4.569    405
    408.69   4.564    503
    407.25   4.548    306
    406.13   4.535     62
    380.13   4.245    261
    378.63   4.228    188
    377.63   4.217    183
    376.19   4.201    193
    370.00   4.132    104
    368.50   4.115    771
    367.06   4.099    569
    366.00   4.087    520
    364.63   4.072    637
    363.00   4.054    108
    361.81   4.040     96
    361.25   4.034    111
    359.63   4.016    764
    358.19   4.000    515
    357.13   3.988    563
    355.81   3.973    645
    354.25   3.956     89
    353.88   3.952     88
    348.94   3.897     75
    348.00   3.886    243
    346.63   3.871    183
    345.56   3.859    162
    344.25   3.844    202

in CDCl3