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876-53-9

1,3-二溴金刚烷(876-53-9)Raman光谱

产品名称:1,3-二溴金刚烷

CAS:876-53-9

分子式:C10H14Br2

分子量: 294.03

InChI:InChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2

InChIKey: HLWZKLMEOVIWRK-UHFFFAOYSA-N

Smiles:C12(Br)CC3CC(CC(Br)(C3)C1)C2

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    Mass

    MS-IW-9059          
    1,3-dibromoadamantane
    C10H14Br2           (Mass of molecular ion:    292)
    

       Source Temperature: 160 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       4.4
          29.0       1.8
          39.0       9.7
          40.0       1.5
          41.0       9.4
          50.0       1.0
          51.0       4.2
          52.0       2.2
          53.0       4.6
          55.0       8.0
          57.0       1.0
          58.0       1.1
          63.0       1.6
          64.0       3.4
          65.0      10.8
          66.0       3.4
          67.0       5.0
          77.0      12.2
          78.0       5.6
          79.0      12.5
          80.0       2.3
          81.0       2.4
          82.0       1.4
          91.0      23.1
          92.0       6.4
          93.0      12.3
          94.0       1.1
         105.0      10.9
         106.0       2.0
         107.0       1.4
         115.0       1.1
         117.0       1.6
         119.0       1.9
         131.0       1.0
         133.0      34.1
         134.0       8.1
         135.0       1.2
         157.0       5.8
         159.0       6.0
         171.0       2.8
         173.0       2.5
         213.0     100.0
         214.0      11.3
         215.0      97.3
         216.0      11.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H14 Br2 0.040 g : 0.5 ml CDCl3
    1,3-dibromoadamantane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.866 B *1 2.31 C *1 2.29 D 2.24 E 1.702

         Hz     ppm     Int.
    

       1145.51   2.867    537
        934.81   2.340     55
        934.20   2.338     52
        932.13   2.333     66
        919.31   2.301   1000
        904.05   2.263    124
        902.34   2.258    107
        898.32   2.248    165
        895.63   2.242    183
        893.43   2.236    133
        683.23   1.710    188
        682.62   1.709    179
        680.30   1.703    326
        677.37   1.695    175
    

in CDCl3

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KBr disc

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nujol mull

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