二乙基磷酰乙酸甲酯(1067-74-9)Raman光譜

產(chǎn)品名稱:二乙基磷酰乙酸甲酯

CAS:1067-74-9

分子式:C7H15O5P

分子量: 210.16

InChI:InChI=1S/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3

InChIKey: CTSAXXHOGZNKJR-UHFFFAOYSA-N

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

Mass

MS-NW-5628          
methyl diethylphosphonoacetate
C7H15O5P            (Mass of molecular ion:    210)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.4
      15.0      15.1
      18.0       1.0
      26.0       3.3
      27.0      19.7
      28.0       5.9
      29.0      31.8
      30.0       1.1
      31.0      12.0
      33.0       1.9
      41.0       1.5
      42.0      32.3
      43.0      30.2
      44.0       2.7
      45.0      16.2
      47.0       9.8
      48.0       3.2
      49.0       1.7
      55.0       1.4
      59.0       2.9
      60.0       1.2
      61.0       1.5
      65.0      20.4
      74.0      56.0
      75.0       5.4
      77.0       1.8
      78.0       7.7
      79.0       7.5
      80.0       4.1
      81.0      32.0
      82.0       2.0
      88.0       4.7
      91.0       8.6
      92.0       2.0
      93.0      14.0
      94.0       1.6
      95.0      41.1
      96.0       9.4
      97.0       7.5
      99.0       2.7
     105.0      14.2
     106.0       5.5
     107.0       3.0
     108.0       2.2
     109.0      42.1
     110.0       3.0
     111.0       3.6
     113.0       4.9
     119.0       3.8
     121.0       3.3
     122.0      11.1
     123.0      84.5
     124.0       7.2
     125.0       6.0
     127.0       2.1
     137.0      48.1
     138.0       7.0
     139.0       2.3
     141.0       1.9
     149.0       2.5
     150.0       3.0
     151.0      39.4
     152.0       9.1
     153.0       4.7
     154.0       1.2
     155.0      44.9
     156.0       1.7
     165.0      23.4
     166.0      15.4
     167.0       2.5
     169.0       9.4
     179.0      32.4
     180.0       3.5
     181.0       4.1
     182.0       2.2
     183.0     100.0
     184.0       6.4
     185.0       1.6
     197.0       7.6
     210.0       5.2

parameter in CDCl3

¹H NMR	300 MHz
C₇ H₁₅ O₅ P	0.04 ml : 0.5 ml CDCl₃
methyl diethylphosphonoacetate

    Parameter     ppm  Hz

      D(A)         4.174
      D(B)         1.353
       J(A,B)          7.06
       J(A,P-31)       8.30
       J(B,P-31)       0.50
     
      D(C)         3.748
      D(D)         2.977
       J(C,D)          0.0
       J(C,P-31)       0.63
       J(D,P-31)      21.56

     Hz     ppm     Int.

   1267.00   4.223    113
   1259.95   4.200    348
   1258.67   4.196    146
   1252.87   4.176    376
   1251.62   4.172    375
   1245.79   4.153    149
   1244.57   4.149    354
   1237.52   4.125    119
   1124.68   3.749    886
   1124.14   3.747    886
    903.89   3.013    461
    882.36   2.941    461
    412.81   1.376    491
    406.00   1.353   1000
    398.93   1.330    501

in CDCl3