Tributyl phosphate(126-73-8) IR1

Product NameTributyl phosphate

CAS 126-73-8

Molecular FormulaC12H27O4P

Molecular Weight266.31

InChIInChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

InChIKey STCOOQWBFONSKY-UHFFFAOYSA-N

SmilesP(OCCCC)(OCCCC)(OCCCC)=O

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Mass

MS-NW-0788          
tributyl phosphate
C12H27O4P           (Mass of molecular ion:    266)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       4.9
      28.0       3.0
      29.0      15.4
      31.0       1.1
      39.0       4.0
      41.0      19.9
      42.0       2.1
      43.0       4.1
      54.0       1.1
      55.0       6.9
      56.0       7.2
      57.0      17.6
      81.0       1.2
      82.0       1.4
      83.0       1.2
      99.0     100.0
     111.0       2.6
     112.0       1.3
     113.0       1.6
     125.0       6.7
     127.0       1.7
     137.0       5.0
     139.0       1.1
     153.0       1.6
     154.0       1.0
     155.0      24.4
     156.0       1.0
     167.0       1.7
     183.0       1.0
     211.0      12.8
     212.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₇ O₄ P	0.05 ml : 0.5 ml CDCl₃
tributyl phosphate

    Assign.     Shift(ppm)

      A             4.041
      B             1.669
      C             1.425
      D             0.944
     
     J(A,P-31)=6.8HZ

     Hz     ppm     Int.

   1625.37   4.067    233
   1618.65   4.051    531
   1611.82   4.034    546
   1605.10   4.017    251
    681.15   1.705     87
    674.44   1.688    233
    667.85   1.672    274
    667.11   1.670    268
    665.89   1.667    231
    659.42   1.650    248
    653.08   1.635    110
    587.77   1.471     73
    584.11   1.462     38
    580.32   1.453    209
    574.58   1.438    129
    572.63   1.433    307
    567.26   1.420    133
    565.06   1.414    316
    559.94   1.402     71
    557.74   1.396    207
    550.42   1.378     66
    384.64   0.963    609
    377.20   0.944   1000
    369.87   0.926    580

in CDCl3