1,3-Dibromoadamantane(876-53-9) ¹³C NMR

Product Name1,3-Dibromoadamantane

CAS 876-53-9

Molecular FormulaC10H14Br2

Molecular Weight294.03

InChIInChI=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

SmilesC12(Br)CC3CC(CC(Br)(C3)C1)C2

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1,3-Dibromoadamantane(876-53-9) <sup>13</sup>C NMR
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

1,3-Dibromoadamantane(876-53-9) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₀ H₁₄ Br₂	0.040 g : 0.5 ml CDCl₃
1,3-dibromoadamantane

    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