Triphenyl phosphate(115-86-6) ¹³C NMR

Product NameTriphenyl phosphate

CAS 115-86-6

Molecular FormulaC18H15O4P

Molecular Weight326.28

InChIInChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H

InChIKey XZZNDPSIHUTMOC-UHFFFAOYSA-N

SmilesP(OC1=CC=CC=C1)(OC1=CC=CC=C1)(OC1=CC=CC=C1)=O

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Mass

MS-NW-1773          
triphenyl phosphate
C18H15O4P           (Mass of molecular ion:    326)

   Source Temperature: 210 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.9
      27.0       1.4
      28.0       1.6
      38.0       1.8
      39.0      17.3
      40.0       1.0
      47.0       4.8
      50.0       4.3
      51.0      21.0
      52.0       1.3
      63.0       4.3
      64.0       3.1
      65.0      36.1
      66.0       4.0
      74.0       1.1
      75.0       1.6
      76.0       2.5
      77.0      63.4
      78.0       4.8
      81.0       1.2
      92.0       1.8
      93.0       7.7
      94.0      23.8
      95.0       2.3
     100.0       1.3
     109.0       1.3
     115.0       3.5
     139.0       4.9
     140.0       6.6
     141.0       8.4
     142.0       3.5
     151.0       2.1
     152.0       6.7
     153.0       2.4
     156.0       2.7
     157.0       1.0
     168.0      10.9
     169.0      20.0
     170.0      34.0
     171.0       4.5
     187.0       1.5
     215.0      21.6
     216.0       3.1
     217.0       1.4
     226.0       1.2
     227.0       3.2
     228.0      15.5
     229.0       6.6
     230.0       1.1
     231.0       2.1
     232.0      15.1
     233.0      30.0
     234.0       4.0
     244.0       1.1
     245.0       2.1
     246.0       4.7
     249.0       5.3
     325.0      63.2
     326.0     100.0
     327.0      18.7
     328.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₈ H₁₅ O₄ P	0.053 g : 0.5 ml CDCl₃
triphenyl phosphate

    Assign.     Shift(ppm)

      A          7.05 to 7.46

     Hz     ppm     Int.

    667.00   7.448     31
    666.50   7.442     41
    665.63   7.433     51
    665.06   7.426     45
    664.13   7.416     37
    663.50   7.409     39
    662.88   7.402     33
    660.94   7.380     55
    659.31   7.362     95
    657.69   7.344    117
    657.00   7.336    187
    656.13   7.327    184
    655.56   7.320    166
    654.94   7.313    167
    653.56   7.298     88
    651.38   7.274   1000
    650.25   7.261    972
    649.81   7.256    952
    646.19   7.216    193
    644.88   7.201    212
    643.88   7.190    120
    642.63   7.176    135
    642.06   7.170    124
    641.31   7.161    130
    640.88   7.156    129
    636.06   7.103     42
    635.06   7.091     36
    634.88   7.089     36

in CDCl3