5927-18-4

磷酸乙酸三甲酯(5927-18-4)Raman光谱

产品名称:磷酸乙酸三甲酯

CAS:5927-18-4

分子式:C5H11O5P

分子量: 182.11

InChI:InChI=1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3

InChIKey: SIGOIUCRXKUEIG-UHFFFAOYSA-N

Smiles:C(OC)(=O)CP(OC)(OC)=O

Mass

MS-NW-8957          
trimethyl phosphonoacetate
C5H11O5P            (Mass of molecular ion:    182)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       4.7
      28.0       1.0
      29.0       2.3
      31.0       1.9
      42.0      12.0
      43.0       5.3
      45.0       5.2
      47.0       7.3
      55.0       1.1
      59.0       1.2
      62.0       3.4
      63.0       4.2
      74.0      12.4
      77.0       2.1
      79.0      20.2
      80.0       1.3
      92.0       8.7
      93.0      11.6
      94.0       6.2
      95.0       2.4
      96.0       2.1
     105.0       1.1
     108.0       1.1
     109.0      99.4
     110.0      11.0
     111.0       1.4
     119.0      12.6
     120.0       4.0
     122.0      11.4
     123.0       1.1
     124.0      38.5
     125.0       1.4
     126.0       1.2
     127.0       1.3
     139.0       3.4
     140.0       3.2
     141.0       7.0
     150.0      16.2
     151.0     100.0
     152.0       9.4
     153.0       1.2
     167.0       1.5
     182.0       7.0

400 MHz in CDCl3

parameter in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₁ O₅ P	0.05 ml : 0.5 ml CDCl₃
trimethyl phosphonoacetate

    Assign.     Shift(ppm)

      A             3.822
      B             3.760
      C             3.018

     Hz     ppm     Int.

   1533.20   3.837    972
   1521.97   3.809   1000
   1518.07   3.799     27
   1506.96   3.771     23
   1502.81   3.761    744
   1217.16   3.046    368
   1195.56   2.992    372

¹H NMR	300 MHz
C₅ H₁₁ O₅ P	0.04 ml : 0.5 ml CDCl₃
trimethyl phosphonoacetate

    Parameter     ppm  Hz

      D(A)         3.807
       J(A,P-31)      11.19
      D(B)         3.756
      D(C)         2.996
       J(B,C)          0.0
       J(B,P-31)       0.56
       J(C,P-31)      21.56

     Hz     ppm     Int.

   1147.70   3.826    999
   1136.52   3.788   1000
   1127.02   3.757    664
   1126.59   3.755    664
    909.58   3.032    333
    888.03   2.960    333

in CDCl3