14937-45-2

十六烷基三丁基溴化磷(14937-45-2)核磁图(¹HNMR)

分子式:C28H60BrP

分子量: 507.67

InChI:InChI=1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1

InChIKey: RYVBINGWVJJDPU-UHFFFAOYSA-M

Smiles:[P+](CCCC)(CCCC)(CCCC)CCCCCCCCCCCCCCCC.[Br-]

Mass

MS-NW-7198          
tributylhexadecylphosphonium bromide
C28H60BrP           (Mass of molecular ion:    506)

   Source Temperature: 200 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      18.0       1.7
      27.0       2.3
      28.0       1.7
      29.0       5.4
      39.0       1.8
      41.0       9.7
      42.0       1.8
      43.0      10.1
      48.0       1.1
      55.0       8.0
      56.0       2.8
      57.0       5.9
      59.0       1.1
      61.0       4.7
      62.0      11.3
      67.0       1.1
      69.0       3.1
      70.0       1.5
      71.0       1.7
      73.0       1.2
      74.0       1.2
      75.0       1.6
      76.0      17.5
      80.0       2.1
      82.0       2.1
      83.0       1.9
      87.0       1.0
      88.0       1.8
      89.0       2.6
      90.0       4.1
      97.0       1.4
     102.0       1.9
     103.0       2.0
     104.0      10.2
     105.0       1.4
     116.0       1.6
     117.0       1.9
     118.0       9.7
     131.0       3.5
     132.0       2.5
     145.0       2.0
     146.0      11.3
     147.0       2.4
     159.0       1.4
     160.0       6.1
     173.0       6.2
     174.0       2.3
     187.0       1.9
     188.0       1.0
     201.0       4.0
     202.0       5.1
     203.0       1.0
     215.0       3.0
     216.0       1.0
     229.0       5.7
     230.0       1.3
     243.0       2.2
     257.0       2.7
     271.0       2.6
     272.0       1.1
     285.0       2.7
     286.0       1.0
     299.0       2.9
     313.0       3.4
     314.0       2.8
     327.0       2.8
     328.0       1.4
     341.0       4.4
     342.0       1.3
     355.0       1.7
     369.0       4.5
     370.0       4.0
     371.0       1.4
     383.0       1.1
     397.0       3.4
     398.0       1.1
     425.0       6.6
     426.0       2.9
     427.0     100.0
     428.0      30.7
     429.0       4.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₈ H₆₀ Br P	0.045 g : 0.5 ml CDCl₃
tributylhexadecylphosphonium bromide

    Assign.     Shift(ppm)

      A             2.47
      B          1.65 to 1.38
      C             1.26
      D             0.97
      E             0.93

     Hz     ppm     Int.

    231.38   2.584     42
    229.31   2.561     32
    229.00   2.557     33
    227.25   2.538     36
    226.25   2.527     37
    224.50   2.507     40
    224.13   2.503     40
    223.25   2.493     41
    222.81   2.488     42
    222.25   2.482     42
    221.94   2.479     42
    220.38   2.461     47
    219.94   2.456     46
    218.38   2.439     44
    216.63   2.419     38
    216.06   2.413     38
    215.56   2.407     39
    215.00   2.401     38
    213.31   2.382     34
    212.63   2.375     33
    212.50   2.373     33
    212.00   2.368     33
    211.69   2.364     33
    211.38   2.361     32
    210.38   2.350     30
    209.69   2.342     30
    209.25   2.337     30
    207.50   2.317     33
    206.94   2.311     32
    150.19   1.677     32
    149.81   1.673     32
    142.50   1.592    105
    138.94   1.552    113
    138.50   1.547    113
    137.13   1.532    105
    134.88   1.507    130
    132.19   1.476     94
    129.44   1.446     70
    129.13   1.442     68
    127.63   1.426     72
    124.13   1.386     48
    123.44   1.379     47
    123.13   1.375     46
    112.69   1.259   1000
     94.00   1.050     80
     93.81   1.048     80
     92.06   1.028     63
     91.88   1.026     63
     87.81   0.981    189
     84.81   0.947     82
     84.50   0.944     82
     82.44   0.921     76
     82.00   0.916     77
     81.63   0.912     77
     78.81   0.880     93

in CDCl3