111-83-1

1-溴辛烷(111-83-1)Raman光谱

产品名称:1-溴辛烷

CAS:111-83-1

分子式:C8H17Br

分子量: 193.12

InChI:InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChIKey: VMKOFRJSULQZRM-UHFFFAOYSA-N

Smiles:C(Br)CCCCCCC

Mass

MS-NW-8349          
1-bromooctane
C8H17Br             (Mass of molecular ion:    192)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      26.0       1.3
      27.0      23.6
      28.0       5.5
      29.0      32.7
      39.0      15.2
      40.0       2.9
      41.0      71.6
      42.0      20.1
      43.0     100.0
      44.0       3.5
      53.0       3.7
      54.0       2.2
      55.0      63.5
      56.0      20.6
      57.0      99.6
      58.0       4.4
      67.0       2.3
      68.0       1.6
      69.0      31.7
      70.0      12.3
      71.0      70.1
      72.0       3.9
      83.0       9.0
      84.0       3.4
      85.0       1.6
     107.0       3.1
     109.0       2.9
     121.0       1.0
     135.0      57.2
     136.0       2.6
     137.0      55.6
     138.0       2.4
     149.0       4.9
     151.0       4.9

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             3.396
      B             1.84
      C          1.55 to 1.42
      D             1.30
      E             0.887

     Hz     ppm     Int.

    311.50   3.479    283
    304.75   3.403    684
    298.13   3.329    399
    174.00   1.943     72
    173.19   1.934     78
    172.63   1.928     80
    172.19   1.923     73
    171.06   1.911     66
    170.75   1.907     65
    170.38   1.903     64
    169.81   1.897     68
    169.31   1.891     71
    166.69   1.862    129
    165.94   1.853    126
    164.63   1.839     97
    163.50   1.826     78
    163.00   1.821     73
    162.69   1.817     72
    162.19   1.811     74
    159.94   1.786    114
    159.63   1.783    119
    155.88   1.741     43
    155.50   1.737     41
    154.88   1.730     40
    154.50   1.726     43
    154.19   1.722     43
    153.75   1.717     45
    153.25   1.712     45
    152.94   1.708     45
    138.44   1.546     47
    138.00   1.541     53
    137.56   1.536     52
    137.00   1.530     53
    136.69   1.527     54
    134.00   1.497     79
    133.38   1.490     76
    132.81   1.483     79
    131.94   1.474     79
    131.50   1.469     81
    130.63   1.459     95
    130.31   1.456     96
    129.81   1.450    100
    127.50   1.424    116
    126.81   1.416    120
    116.69   1.303   1000
    104.06   1.162     62
    102.25   1.142     45
    101.56   1.134     42
    100.88   1.127     40
    100.19   1.119     37
     88.25   0.986     50
     84.75   0.947    165
     84.38   0.943    165
     79.25   0.885    525
     75.38   0.842    101
     73.19   0.818    122

in CDCl3