4549-31-9

1,7-二溴庚烷(4549-31-9)Raman光谱

产品名称:1,7-二溴庚烷

CAS:4549-31-9

分子式:C7H14Br2

分子量: 257.99

InChI:InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2

InChIKey: LVWSZGCVEZRFBT-UHFFFAOYSA-N

Smiles:C(Br)CCCCCCBr

Mass

MS-IW-3484          
1,7-dibromoheptane
C7H14Br2            (Mass of molecular ion:    256)

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

      27.0      14.2
      28.0       2.7
      29.0       9.6
      39.0      11.7
      40.0       2.1
      41.0      35.5
      42.0       7.1
      43.0      19.8
      48.0       1.0
      49.0       1.5
      53.0       3.9
      54.0       2.3
      55.0      83.5
      56.0       5.3
      57.0      19.2
      67.0       3.9
      68.0       3.2
      69.0      20.8
      70.0       2.1
      71.0       1.7
      81.0       1.9
      93.0       1.5
      95.0       1.5
      97.0     100.0
      98.0       8.2
     107.0       6.1
     109.0       5.8
     121.0       3.3
     123.0       3.0
     134.0       1.1
     135.0      15.9
     136.0       1.7
     137.0      15.2
     148.0       1.2
     150.0       1.2
     177.0       8.2
     178.0       1.0
     179.0       7.7

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ Br₂	0.04 ml : 0.5 ml CDCl₃
1,7-dibromoheptane

    Assign.     Shift(ppm)

      A             3.401
      B             1.87
      C          1.69 to 1.12

     Hz     ppm     Int.

    311.88   3.483    389
    305.25   3.409   1000
    298.50   3.333    588
    173.25   1.935     99
    172.94   1.931    100
    171.81   1.919     78
    171.50   1.915     79
    171.38   1.914     79
    167.31   1.869    161
    166.69   1.862    161
    160.69   1.795    149
    160.44   1.792    149
    156.63   1.749     54
    155.50   1.737     52
    154.00   1.720     63
    152.94   1.708     46
    143.38   1.601     38
    136.31   1.522    113
    132.50   1.480    150
    131.00   1.463    134
    126.94   1.418    287
    125.94   1.407    298
    124.88   1.395    282
    123.63   1.381    275
    121.69   1.359    282
    115.06   1.285     30
    114.50   1.279     31

¹H NMR	399.65 MHz
C₇ H₁₄ Br₂	0.05 ml : 0.5 ml CDCl₃
1,7-dibromoheptane

    Assign.     Shift(ppm)

      A             3.410
      B             1.860
      C             1.451
      D             1.352
     
     90MHZ:HSP-03-244

     Hz     ppm     Int.

   1369.63   3.428    619
   1362.92   3.411   1000
   1355.96   3.393    613
    758.06   1.897    113
    751.22   1.880    289
    744.26   1.863    308
    736.45   1.843    319
    729.61   1.826    141
    596.31   1.493     74
    595.58   1.491     69
    588.75   1.474    183
    587.16   1.470    130
    583.01   1.459    145
    581.42   1.455    275
    580.69   1.453    265
    577.51   1.446    112
    575.07   1.439    150
    573.36   1.435    243
    566.41   1.418    146
    563.72   1.411     37
    552.61   1.383     62
    551.39   1.380     99
    547.73   1.371     90
    544.43   1.363    131
    541.99   1.357     64
    537.23   1.345    132
    532.71   1.333     57
    531.01   1.329     55
    530.15   1.327     52
    528.69   1.323     71

in CDCl3