7314-85-4

2-Bromoadamantane (7314-85-4) IR1

Product Name2-Bromoadamantane

CAS 7314-85-4

Molecular FormulaC10H15Br

Molecular Weight215.13

InChIInChI=1S/C10H15Br/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2

InChIKey RCXJARRRXOPXBC-UHFFFAOYSA-N

SmilesC12CC3CC(CC(C3)C1Br)C2

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2-Bromoadamantane (7314-85-4) IR1
Mass

MS-NW-7195          
2-bromotricyclo(3.3.1.1(3,7))decane
C10H15Br            (Mass of molecular ion:    214)

   Source Temperature: 210 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       3.3
      29.0       1.7
      39.0       6.2
      41.0       6.2
      51.0       2.2
      52.0       1.3
      53.0       3.2
      55.0       3.7
      65.0       3.5
      66.0       1.7
      67.0      17.0
      68.0       1.0
      69.0       2.5
      77.0       6.4
      78.0       2.3
      79.0      15.1
      80.0       2.2
      81.0       9.1
      91.0       5.7
      92.0       2.5
      93.0      14.4
      94.0       1.2
     105.0       1.3
     107.0       3.6
     135.0     100.0
     136.0      11.0

90 MHz in CDCl3

2-Bromoadamantane (7314-85-4) IR1

¹H NMR	89.56 MHz
C₁₀ H₁₅ Br	0.035 g : 0.5 ml CDCl₃
2-bromotricyclo(3.3.1.1(3,7))decane

    Assign.     Shift(ppm)

      A             4.674
      B          2.50 to 1.45

     Hz     ppm     Int.

    420.06   4.691    193
    418.63   4.675    226
    417.31   4.660    188
    216.38   2.417    170
    204.13   2.280    247
    192.38   2.149    320
    191.50   2.139    319
    181.63   2.029     86
    171.38   1.914   1000
    159.75   1.784    560
    154.69   1.728    296
    152.44   1.703    306
    151.38   1.691    308
    138.31   1.545    200
    137.19   1.532    217
    131.44   1.468     26

in CDCl3