594-52-5

2-bromo-2,3-dimethylbutane(594-52-5) MS

Product Name2-bromo-2,3-dimethylbutane

CAS 594-52-5

Molecular FormulaC6H13Br

Molecular Weight165.07

InChIInChI=1S/C6H13Br/c1-5(2)6(3,4)7/h5H,1-4H3

InChIKey NILGDLGIGRGWRL-UHFFFAOYSA-N

SmilesCC(Br)(C)C(C)C

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¹HNMR

¹³CNMR

2-bromo-2,3-dimethylbutane(594-52-5) MS
Mass

MS-IW-5291          
2-bromo-2,3-dimethylbutane
C6H13Br             (Mass of molecular ion:    164)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.4
      27.0      14.5
      28.0       1.2
      29.0       7.9
      38.0       1.9
      39.0      19.8
      40.0       3.9
      41.0      71.2
      42.0       9.5
      43.0      96.8
      44.0       4.6
      50.0       1.7
      51.0       2.6
      52.0       1.7
      53.0       5.0
      55.0       8.8
      56.0       2.7
      57.0      17.7
      67.0       2.6
      69.0      28.7
      70.0       2.5
      77.0       1.1
      78.0       5.3
      80.0       1.0
      82.0       1.0
      83.0       1.0
      84.0       5.7
      85.0     100.0
      86.0       7.3
     120.0       1.6
     121.0       5.9
     122.0       1.7
     123.0       5.8

400 MHz in CDCl3

2-bromo-2,3-dimethylbutane(594-52-5) MS

¹H NMR	399.65 MHz
C₆ H₁₃ Br	0.03 ml : 0.5 ml CDCl₃
2-bromo-2,3-dimethylbutane

    Assign.     Shift(ppm)

      A             1.76
      B             1.75
      C             1.045

     Hz     ppm     Int.

    716.67   1.794     28
    710.08   1.777     66
    703.37   1.760     97
    697.75   1.746   1000
    690.06   1.727     41
    420.90   1.054    718
    418.58   1.048     41
    414.18   1.037    690

in CDCl3

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