3115-68-2

四正丁基溴化膦(3115-68-2)红外图谱(IR1)

产品名称:四正丁基溴化膦

CAS:3115-68-2

分子式:C16H36BrP

分子量: 339.33

InChI:InChI=1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

InChIKey: RKHXQBLJXBGEKF-UHFFFAOYSA-M

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

Mass

MS-NW-7052          
tetrabutylphosphonium bromide
C16H36BrP           (Mass of molecular ion:    338)

   Source Temperature: 220 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      18.0       1.5
      27.0       3.5
      28.0       1.4
      29.0       8.8
      39.0       2.6
      41.0       9.2
      43.0       1.8
      45.0       1.4
      47.0       1.5
      48.0       1.6
      53.0       1.1
      55.0       6.7
      56.0       1.4
      57.0       2.1
      59.0       3.0
      61.0       8.2
      62.0      13.8
      69.0       1.1
      71.0       1.0
      73.0       2.0
      74.0       1.9
      75.0       2.7
      76.0      22.3
      77.0       1.1
      80.0       2.2
      81.0       1.0
      82.0       2.2
      87.0       1.4
      88.0       2.0
      89.0       3.6
      90.0       3.7
     102.0       1.8
     103.0       2.7
     104.0       6.7
     115.0       1.0
     116.0       1.3
     117.0       1.7
     118.0       6.9
     131.0       3.8
     132.0       1.3
     145.0       2.5
     146.0       4.7
     160.0       3.2
     173.0       6.1
     174.0       1.9
     187.0       1.2
     201.0       3.5
     202.0       5.0
     203.0       1.5
     229.0       7.9
     230.0       1.8
     257.0       3.6
     258.0       1.7
     259.0     100.0
     260.0      18.3
     261.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₃₆ Br P	0.040 g : 0.5 ml CDCl₃
tetrabutylphosphonium bromide

    Assign.     Shift(ppm)

      A             2.458
      B             1.55
      C             0.983

     Hz     ppm     Int.

    996.58   2.494    100
    991.46   2.481    121
    988.16   2.473    124
    983.64   2.462    183
    980.47   2.454    169
    978.52   2.449    146
    967.41   2.421    137
    630.98   1.579    153
    627.81   1.571    245
    623.78   1.561    361
    620.24   1.552    498
    616.82   1.544    369
    612.67   1.534    316
    399.41   1.000    464
    392.46   0.983   1000
    385.38   0.965    347

in CDCl3