1,11-二溴十一烷(16696-65-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:1,11-二溴十一烷

CAS:16696-65-4

分子式:C11H22Br2

分子量: 314.1

InChI:InChI=1S/C11H22Br2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2

InChIKey: SIBVHGAPHVRHMJ-UHFFFAOYSA-N

Smiles:C(Br)CCCCCCCCCCBr

Mass

MS-NW-7521          
1,11-dibromoundecane
C11H22Br2           (Mass of molecular ion:    312)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0      22.1
      28.0       2.2
      29.0      23.8
      39.0      13.2
      40.0       2.7
      41.0      69.5
      42.0      11.8
      43.0      56.8
      44.0       2.2
      53.0       5.7
      54.0       4.7
      55.0     100.0
      56.0      10.9
      57.0      64.0
      58.0       3.3
      67.0       6.4
      68.0       3.7
      69.0      68.8
      70.0       6.4
      71.0      47.5
      72.0       2.9
      81.0       3.4
      82.0       2.6
      83.0      38.1
      84.0       3.3
      85.0      35.3
      86.0       2.5
      93.0       1.1
      95.0       2.0
      97.0      35.6
      98.0       3.1
      99.0       4.2
     107.0       5.4
     109.0       5.1
     111.0      10.5
     112.0       1.1
     121.0       3.5
     123.0       2.9
     135.0      39.8
     136.0       2.5
     137.0      37.8
     138.0       1.8
     148.0       2.8
     149.0       8.9
     150.0       3.1
     151.0       8.7
     153.0       2.6
     162.0       1.3
     163.0       7.7
     164.0       1.6
     165.0       7.3
     177.0       9.8
     179.0       8.5
     191.0       5.4
     193.0       5.0
     233.0       3.4
     235.0       3.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₂₂ Br₂	0.05 ml : 0.5 ml CDCl₃
1,11-dibromoundecane

    Assign.     Shift(ppm)

      A             3.40
      B             1.84
      C             1.42
      D             1.30

     Hz     ppm     Int.

    311.69   3.481    220
    304.94   3.405    525
    302.00   3.373     53
    298.19   3.330    306
    179.38   2.003     30
    177.44   1.982     37
    172.69   1.929     89
    172.13   1.922     88
    170.69   1.906     85
    166.69   1.862    142
    166.38   1.858    143
    159.75   1.784    122
    155.75   1.740     60
    154.56   1.726     54
    154.00   1.720     54
    153.69   1.717     54
    149.19   1.666     30
    141.94   1.585     36
    141.25   1.578     39
    138.63   1.548     54
    137.25   1.533     61
    133.63   1.493     91
    133.25   1.488     92
    129.19   1.443    114
    116.56   1.302   1000
    107.13   1.197     59
    104.38   1.166     34

in CDCl3