1-Bromo-3,5-dimethyladamantane(941-37-7) IR1

Product Name1-Bromo-3,5-dimethyladamantane

CAS 941-37-7

Molecular FormulaC12H19Br

Molecular Weight243.18

InChIInChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3

InChIKey QUCXLVDIVQWYJR-UHFFFAOYSA-N

SmilesC12(Br)CC3(C)CC(CC(C)(C3)C1)C2

Request For Quotation

Mass

MS-IW-9198          
1-bromo-3,5-dimethyladamantane
C12H19Br            (Mass of molecular ion:    242)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.0
      29.0       3.9
      39.0       5.5
      40.0       1.0
      41.0       9.4
      43.0       1.7
      51.0       1.5
      53.0       3.8
      55.0       6.4
      65.0       3.3
      66.0       1.1
      67.0       3.4
      69.0       5.4
      77.0       5.6
      78.0       1.4
      79.0       7.6
      80.0       2.1
      81.0       5.8
      82.0       1.4
      83.0       1.9
      91.0      11.4
      92.0       2.3
      93.0      12.6
      94.0       1.5
      95.0       5.8
     105.0       5.2
     106.0       3.3
     107.0      65.0
     108.0       6.1
     119.0       1.8
     121.0       6.8
     135.0       1.3
     145.0       1.1
     147.0       1.4
     149.0       1.8
     162.0       1.5
     163.0     100.0
     164.0      13.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₉ Br	0.05 ml : 0.5 ml CDCl₃
1-bromo-3,5-dimethyladamantane

    Assign.     Shift(ppm)

      A             2.167
      B             2.15
      C     *1      2.018
      D     *1      1.976
      E     *2      1.410
      F     *2      1.348
      G             1.204
      J             0.857

     Hz     ppm     Int.

    867.19   2.170    201
    866.21   2.168    222
    865.23   2.165    205
    862.67   2.159     81
    859.74   2.152     67
    856.57   2.144     45
    815.55   2.041     66
    803.71   2.012    193
    792.97   1.985    151
    791.99   1.982    140
    780.88   1.954     53
    780.03   1.952     48
    572.39   1.433     50
    571.17   1.430     46
    559.81   1.401    122
    544.07   1.362     97
    543.09   1.359    113
    542.24   1.357    117
    541.38   1.355    101
    531.13   1.329     45
    529.54   1.326     51
    481.20   1.205    217
    342.65   0.858   1000

in CDCl3