1-Bromo-2-ethylbutane(3814-34-4) MS

Product Name1-Bromo-2-ethylbutane

CAS 3814-34-4

Molecular FormulaC6H13Br

Molecular Weight165.07

InChIInChI=1S/C6H13Br/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3

InChIKey KKGUMGWNFARLSL-UHFFFAOYSA-N

SmilesCCC(CBr)CC

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1-Bromo-2-ethylbutane(3814-34-4) MS
Mass

MS-NW-8942          
3-(bromomethyl)pentane
C6H13Br             (Mass of molecular ion:    164)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0      11.5
      28.0       2.5
      29.0      16.0
      39.0       9.6
      40.0       1.3
      41.0      25.0
      42.0       5.7
      43.0      93.0
      44.0       3.2
      51.0       1.0
      53.0       3.9
      54.0       1.2
      55.0      59.2
      56.0      14.6
      57.0      11.0
      69.0       9.3
      70.0       7.2
      71.0      31.9
      72.0       1.8
      84.0       1.8
      85.0     100.0
      86.0       6.7
     107.0       2.3
     109.0       2.1
     135.0       7.5
     137.0       7.3

400 MHz in CDCl3

1-Bromo-2-ethylbutane(3814-34-4) MS

¹H NMR	399.65 MHz
C₆ H₁₃ Br	0.05 ml : 0.5 ml CDCl₃
3-(bromomethyl)pentane

    Assign.     Shift(ppm)

      A             3.460
      B             1.45
      C             1.427
      D             0.895

     Hz     ppm     Int.

   1393.92   3.488     22
   1385.13   3.466    485
   1380.62   3.455    482
    573.97   1.437    440
    566.65   1.418    431
    560.79   1.404    231
    559.81   1.401    242
    384.28   0.962     28
    383.91   0.961     28
    382.45   0.957     25
    381.96   0.956     25
    381.35   0.955     26
    377.56   0.945     40
    377.20   0.944     40
    376.83   0.943     40
    364.38   0.912    651
    357.18   0.894   1000
    349.61   0.875    494
    343.51   0.860     39
    340.33   0.852     21

in CDCl3