557-35-7

2-溴辛烷(557-35-7)Raman光谱

产品名称:2-溴辛烷

CAS:557-35-7

分子式:C8H17Br

分子量: 193.12

InChI:InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

InChIKey: FTJHYGJLHCGQHQ-UHFFFAOYSA-N

Smiles:CC(Br)CCCCCC

Mass

MS-NW-0705          
2-bromooctane
C8H17Br             (Mass of molecular ion:    192)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       2.2
      17.0       1.2
      18.0       5.9
      26.0       1.1
      27.0      15.2
      28.0      50.1
      29.0      21.0
      39.0      13.5
      40.0       2.4
      41.0      45.1
      42.0      15.1
      43.0      62.6
      44.0       2.0
      51.0       1.1
      53.0       3.2
      54.0       2.0
      55.0      28.2
      56.0      13.6
      57.0     100.0
      58.0       4.6
      65.0       1.0
      67.0       1.9
      68.0       1.1
      69.0      11.5
      70.0      10.1
      71.0      81.9
      72.0       4.9
      83.0       4.2
      84.0       1.9
      85.0       1.1
     106.0       1.3
     107.0       3.4
     112.0       2.2
     113.0      29.2
     114.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₇ Br	0.04 ml : 0.5 ml CDCl₃
2-bromooctane

    Assign.     Shift(ppm)

      A             4.110
      B             1.7
      C             1.702
      D          1.53 to 1.11
      E             0.893
     
     J(A,C)=6.6HZ

     Hz     ppm     Int.

    373.31   4.169     68
    366.94   4.098     85
    360.38   4.024     62
    166.31   1.857     67
    165.00   1.843     84
    163.13   1.822     84
    162.75   1.818     82
    161.81   1.807     83
    161.19   1.800     84
    160.81   1.796     86
    160.38   1.791     89
    157.38   1.758    132
    155.69   1.739   1000
    153.69   1.717    122
    151.88   1.696    116
    150.69   1.683    129
    149.06   1.665    920
    147.00   1.642    100
    144.75   1.617     71
    143.75   1.606     66
    143.06   1.598     65
    142.50   1.592     63
    141.81   1.584     69
    140.88   1.574     62
    140.50   1.569     61
    139.31   1.556     65
    138.88   1.551     65
    138.56   1.548     67
    137.00   1.530     81
    136.19   1.521     78
    117.63   1.314    437
     85.13   0.951    143
     83.56   0.934    129
     83.00   0.927    125
     82.63   0.923    124
     79.50   0.888    351
     75.19   0.840     85
     74.56   0.833     87
     73.94   0.826     91
     73.56   0.822     94
     72.31   0.808     77

in CDCl3