TRI-N-BUTYLPHOSPHINE OXIDE(814-29-9) ¹³C NMR

Product NameTRI-N-BUTYLPHOSPHINE OXIDE

CAS 814-29-9

Molecular FormulaC12H27OP

Molecular Weight218.32

InChIInChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3

InChIKey MNZAKDODWSQONA-UHFFFAOYSA-N

SmilesP(=O)(CCCC)(CCCC)CCCC

Request For Quotation

Mass

MS-NW-6082          
tributylphosphine oxide
C12H27OP            (Mass of molecular ion:    218)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      17.0       1.7
      18.0       8.0
      27.0       6.8
      29.0      21.4
      39.0       3.8
      41.0      13.4
      43.0       2.5
      47.0       4.0
      48.0       1.5
      49.0       4.9
      53.0       1.2
      55.0      19.9
      56.0       1.6
      57.0       4.2
      59.0       1.1
      61.0       1.3
      62.0       1.2
      63.0      22.8
      64.0       5.9
      75.0       2.3
      76.0       1.9
      77.0       4.0
      78.0      67.9
      79.0       2.0
      85.0       1.0
      87.0       2.8
      89.0       1.1
      90.0       1.8
      91.0       2.1
      92.0     100.0
      93.0       3.6
     103.0       1.1
     104.0       1.4
     105.0       7.4
     106.0       5.0
     107.0       2.4
     118.0       1.1
     119.0       1.2
     120.0      34.2
     121.0       2.4
     133.0       5.6
     134.0      20.1
     135.0       1.5
     147.0      20.9
     148.0       2.2
     161.0      16.9
     162.0      19.3
     163.0       2.1
     176.0       8.7
     177.0       1.0
     189.0      33.2
     190.0       4.0
     203.0       1.0
     217.0       1.8
     218.0       3.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₇ O P	0.05 ml : 0.5 ml CDCl₃
tributylphosphine oxide

    Assign.     Shift(ppm)

      A             1.679
      B             1.552
      C             1.432
      D             0.941

     Hz     ppm     Int.

    687.38   1.720     97
    680.30   1.703    111
    678.71   1.699     98
    676.39   1.693    134
    674.68   1.689    130
    670.65   1.679    260
    666.99   1.669     92
    661.62   1.656     82
    659.55   1.651    209
    630.98   1.579    136
    627.44   1.570     82
    626.34   1.568     88
    624.15   1.562    170
    620.97   1.554    126
    619.14   1.550    121
    615.72   1.541    142
    614.38   1.538    131
    611.69   1.531     95
    607.54   1.521    116
    582.64   1.458    179
    575.20   1.440    275
    567.87   1.421    260
    560.67   1.403    142
    383.30   0.960    603
    375.98   0.941   1000
    368.77   0.923    528

in CDCl3