Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>4549-31-9More Spectrum> 1,7-DIBROMOHEPTANE(4549-31-9) IR1

1,7-DIBROMOHEPTANE(4549-31-9) IR1

Product Name1,7-DIBROMOHEPTANE

CAS4549-31-9

Molecular FormulaC7H14Br2

Molecular Weight257.99

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

InChIKey LVWSZGCVEZRFBT-UHFFFAOYSA-N

SmilesC(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
    ChemicalStructure
        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
    ChemicalStructure
        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



liquid film





1,7-DIBROMOHEPTANE(4549-31-9) IR1 Atlas of Related Products

×