ACETYLPHOSPHONIC ACID DIETHYL ESTER(919-19-7) ¹³C NMR

Product NameACETYLPHOSPHONIC ACID DIETHYL ESTER

CAS 919-19-7

Molecular FormulaC6H13O4P

Molecular Weight180.14

InChIInChI=1S/C6H13O4P/c1-4-9-11(8,6(3)7)10-5-2/h4-5H2,1-3H3

InChIKey YOHJPFQGGNEGSE-UHFFFAOYSA-N

SmilesP(C(C)=O)(=O)(OCC)OCC

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0224          
acetylphosphonic acid diethyl ester
C6H13O4P            (Mass of molecular ion:    180)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       2.7
      15.0       7.6
      18.0       2.3
      19.0       1.9
      26.0       6.0
      27.0      18.2
      28.0      15.2
      29.0      30.8
      31.0       4.8
      41.0       1.8
      42.0       9.2
      43.0     100.0
      44.0       3.4
      45.0       9.6
      47.0       7.4
      61.0       1.2
      65.0      19.4
      66.0       1.2
      73.0       1.2
      77.0       1.5
      81.0      51.1
      82.0      81.0
      83.0      34.7
      91.0      14.5
      92.0       2.7
      93.0       7.2
      94.0       3.2
      97.0       1.8
      99.0       3.2
     108.0       1.2
     109.0      30.8
     110.0      20.4
     111.0      67.3
     112.0       1.8
     125.0       4.1
     127.0       1.8
     135.0       2.6
     137.0       2.4
     138.0      51.1
     139.0       2.7
     152.0      10.9
     155.0       2.6
     180.0       2.8
     181.0       2.2

400 MHz in CDCl3