11-溴-1-十一醇(1611-56-9)質(zhì)譜(MS)

產(chǎn)品名稱:11-溴-1-十一醇

CAS:1611-56-9

分子式:C11H23BrO

分子量: 251.2

InChI:InChI=1S/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2

InChIKey: XFGANBYCJWQYBI-UHFFFAOYSA-N

Smiles:C(O)CCCCCCCCCCBr

Mass

MS-IW-0764          
11-bromo-1-undecanol
C11H23BrO           (Mass of molecular ion:    250)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       3.5
      27.0       8.2
      28.0       1.5
      29.0      13.5
      31.0       9.0
      39.0       7.3
      40.0       1.5
      41.0      50.1
      42.0      13.9
      43.0      30.0
      44.0       2.5
      45.0       1.8
      53.0       3.8
      54.0       8.9
      55.0     100.0
      56.0      24.5
      57.0      21.0
      58.0       1.1
      67.0      17.8
      68.0      32.5
      69.0      97.0
      70.0      21.0
      71.0       7.2
      73.0       2.0
      79.0       1.4
      81.0      11.6
      82.0      25.1
      83.0      75.8
      84.0      10.3
      85.0       2.1
      87.0       1.5
      95.0       7.9
      96.0       6.1
      97.0      44.4
      98.0       5.5
     107.0       2.0
     109.0       4.2
     110.0       2.4
     111.0      10.9
     112.0       1.1
     121.0       1.3
     123.0       3.9
     124.0       2.1
     125.0       6.8
     134.0       2.8
     135.0      10.7
     136.0       3.0
     137.0      10.0
     148.0      27.9
     149.0       4.5
     150.0      27.1
     151.0       4.0
     162.0      20.3
     163.0       2.7
     164.0      19.5
     165.0       2.1
     176.0       2.0
     178.0       1.8
     190.0       1.2
     192.0       1.0
     204.0       3.7
     206.0       3.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₃ Br O	0.042 g : 0.5 ml CDCl₃
11-bromo-1-undecanol

    Assign.     Shift(ppm)

      A             3.629
      B             3.407
      C             1.850
      D             1.63
      E             1.56
      F             1.42
      G             1.34
      J             1.32
      K             1.28

     Hz     ppm     Int.

   1457.15   3.647    150
   1450.56   3.630    291
   1443.85   3.613    155
   1368.77   3.425    307
   1361.94   3.408    624
   1355.10   3.391    326
    754.27   1.888     70
    747.31   1.870    183
    740.23   1.853    198
    732.54   1.833    191
    725.71   1.816     81
    653.32   1.635    164
    637.70   1.596     33
    630.98   1.579     96
    623.66   1.561    137
    616.46   1.543    127
    609.74   1.526     51
    574.95   1.439     78
    572.27   1.432     67
    567.87   1.421    108
    560.55   1.403     88
    553.47   1.385     51
    550.78   1.379     36
    538.82   1.349    110
    534.06   1.337    135
    533.08   1.334    133
    525.39   1.315    257
    524.41   1.313    258
    512.82   1.284   1000

in CDCl3