870-63-3

3,3-Dimethylallyl bromide(870-63-3) ¹³C NMR

Product Name3,3-Dimethylallyl bromide

CAS 870-63-3

Molecular FormulaC5H9Br

Molecular Weight149.03

InChIInChI=1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3

InChIKey LOYZVRIHVZEDMW-UHFFFAOYSA-N

SmilesC(Br)/C=C(/C)\C

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3,3-Dimethylallyl bromide(870-63-3) <sup>13</sup>C NMR
Mass

MS-IW-1592          
1-bromo-3-methyl-2-butene
C5H9Br              (Mass of molecular ion:    148)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.3
      27.0      10.6
      28.0       2.0
      29.0       3.8
      38.0       2.3
      39.0      17.6
      40.0       4.6
      41.0      82.0
      42.0       5.2
      43.0       7.6
      50.0       2.3
      51.0       3.7
      52.0       1.8
      53.0      14.8
      54.0       3.8
      55.0       4.1
      59.0       2.0
      65.0       1.9
      67.0      12.5
      68.0       8.4
      69.0     100.0
      70.0       6.6
      71.0       2.0
      81.0       2.7
      93.0       1.4
      95.0       1.6
      97.0       1.7
     121.0       1.5
     137.0       2.4
     148.0       6.8
     149.0      10.1
     150.0       7.1
     151.0       9.6

90 MHz in CDCl3

3,3-Dimethylallyl bromide(870-63-3) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₅ H₉ Br	0.02 ml : 0.5 ml CDCl₃
1-bromo-3-methyl-2-butene

    Assign.     Shift(ppm)

      A             5.52
      B             4.015
      C             1.78
      D             1.74
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

    363.63   4.061    406
    355.19   3.966    360
    159.63   1.783   1000
    156.06   1.743    968
    155.69   1.739    947
    154.69   1.728    961

in CDCl3