Dimethyl acetylmethylphosphonate(4202-14-6) ¹H NMR

Product NameDimethyl acetylmethylphosphonate

CAS 4202-14-6

Molecular FormulaC5H11O4P

Molecular Weight166.11

InChIInChI=1S/C5H11O4P/c1-5(6)4-10(7,8-2)9-3/h4H2,1-3H3

InChIKey UOWIYNWMROWVDG-UHFFFAOYSA-N

SmilesP(CC(=O)C)(=O)(OC)OC

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Mass

MS-NW-9784          
dimethyl (2-oxopropyl)phosphonate
C5H11O4P            (Mass of molecular ion:    166)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       6.0
      27.0       1.4
      28.0       2.2
      29.0       1.5
      31.0       1.9
      39.0       1.7
      40.0       1.0
      41.0       2.0
      42.0       4.6
      43.0      21.5
      45.0       3.0
      47.0       6.9
      58.0       4.6
      62.0       2.6
      63.0       3.3
      65.0       1.0
      77.0       1.5
      79.0      42.1
      80.0       1.4
      92.0       1.0
      93.0       7.1
      94.0      75.9
      95.0       6.3
      96.0       1.5
     105.0       1.1
     109.0      61.9
     110.0       3.6
     111.0       2.8
     117.0       1.5
     119.0      11.7
     124.0     100.0
     125.0       3.7
     127.0       3.2
     135.0       5.5
     151.0      43.2
     152.0       2.0
     166.0      23.2
     167.0       3.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₁ O₄ P	0.05 ml : 0.5 ml CDCl₃
dimethyl (2-oxopropyl)phosphonate

    Assign.     Shift(ppm)

      A             3.799
      B             3.124
      C             2.325
     
     J(P-31,A)=11.2HZ. J(P-31,B)=22.7HZ.

     Hz     ppm     Int.

    345.69   3.860   1000
    334.50   3.735    975
    291.69   3.257    123
    291.19   3.252    131
    268.94   3.003    122
    268.44   2.998    132
    208.69   2.331    270
    208.19   2.325    509

in CDCl3