768-90-1

1-溴金刚烷(768-90-1)核磁图(¹³CNMR)

产品名称:1-溴金刚烷

CAS:768-90-1

分子式:C10H15Br

分子量: 215.13

InChI:InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

InChIKey: VQHPRVYDKRESCL-UHFFFAOYSA-N

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

Mass

MS-KW-0260          
1-bromotricyclo(3.3.1.1(3,7))decane
C10H15Br            (Mass of molecular ion:    214)

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

      27.0       2.8
      29.0       1.4
      39.0       5.6
      41.0       6.0
      43.0       1.0
      51.0       1.9
      52.0       1.1
      53.0       3.1
      55.0       4.3
      65.0       3.5
      66.0       1.6
      67.0       7.7
      69.0       2.1
      77.0       6.6
      78.0       2.4
      79.0      20.3
      80.0       2.0
      81.0       6.0
      91.0       5.8
      92.0       2.0
      93.0      16.6
      94.0       2.0
      95.0       4.5
     105.0       1.2
     107.0       5.8
     135.0     100.0
     136.0      11.3
     152.0       1.0

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀H₁₅Br	0.040 g : 0.5 ml CDCl₃
1-bromoadamantane

    Assign.     Shift(ppm)

     A           2.367
     B           2.104
     C           1.73

     Hz     ppm     Int.

    947.51   2.371   1000
    944.22   2.362    971
    841.07   2.104    284
    694.95   1.739    683
    691.90   1.731    964
    688.48   1.723    563

¹H NMR	89.56 MHz
C₁₀ H₁₅ Br	0.046 g : 0.5 ml CDCl₃
1-bromotricyclo(3.3.1.1(3,7))decane

    Assign.     Shift(ppm)

      A             2.363
      B             2.10
      C             1.73
     
     J(A,B)=3.0HZ. J(B,C)=3.0HZ.

     Hz     ppm     Int.

    213.38   2.383    768
    210.38   2.350   1000
    200.81   2.243     50
    188.25   2.102    263
    157.88   1.763    578
    155.00   1.731    871
    151.94   1.697    471

in CDCl3