1,6-Dibromohexane (629-03-8) ¹³C NMR

Product Name1,6-Dibromohexane

CAS 629-03-8

Molecular FormulaC6H12Br2

Molecular Weight243.97

InChIInChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2

InChIKey SGRHVVLXEBNBDV-UHFFFAOYSA-N

SmilesC(Br)CCCCCBr

Request For Quotation

Mass

MS-NW-1301          
1,6-dibromohexane
C6H12Br2            (Mass of molecular ion:    242)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.4
      27.0      17.6
      28.0       2.3
      29.0      10.7
      39.0      11.0
      40.0       2.9
      41.0      40.2
      42.0       6.4
      43.0      19.3
      53.0       3.2
      54.0       2.7
      55.0      65.1
      56.0       5.6
      57.0       4.7
      67.0       4.5
      69.0       4.5
      81.0       1.8
      82.0       5.8
      83.0     100.0
      84.0       6.6
      93.0       1.3
      95.0       1.2
     107.0       4.7
     109.0       4.4
     121.0       3.7
     123.0       3.3
     135.0       1.9
     137.0       1.9
     162.0       4.1
     163.0       6.4
     164.0       4.3
     165.0       6.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ Br₂	0.04 ml : 0.5 ml CDCl₃
1,6-dibromohexane

    Assign.     Shift(ppm)

      A             3.409
      B             1.88
      C             1.50

     Hz     ppm     Int.

    312.63   3.491    392
    306.00   3.417   1000
    299.44   3.344    602
    181.94   2.032     39
    180.88   2.020     38
    180.31   2.014     37
    179.44   2.004     39
    176.94   1.976     66
    175.00   1.954    135
    174.06   1.944    123
    170.75   1.907    114
    168.75   1.885    188
    167.81   1.874    193
    164.69   1.839    112
    162.06   1.810    170
    158.69   1.772     74
    157.88   1.763     69
    157.06   1.754     71
    156.38   1.747     67
    155.38   1.735     82
    153.25   1.712     37
    152.25   1.700     40
    150.50   1.681     37
    149.63   1.671     36
    149.13   1.666     39
    145.69   1.627     50
    143.88   1.607     48
    143.50   1.603     47
    140.44   1.569    129
    138.31   1.545    201
    135.50   1.513    192
    135.00   1.508    195
    134.56   1.503    196
    133.94   1.496    199
    131.44   1.468    268
    128.69   1.437    130
    127.38   1.423    178
    125.00   1.396     70
    123.81   1.383     86

in CDCl3