1474-78-8

甲膦酸三乙酯(1474-78-8)紅外圖譜(IR1)

產品名稱:甲膦酸三乙酯

CAS:1474-78-8

分子式:C7H15O5P

分子量: 210.16

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

InChIKey: NOJFJZZMRDSOLM-UHFFFAOYSA-N

Smiles:P(=O)(OCC)(OCC)C(OCC)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7589          
ethyl (diethoxyphosphoryl)formate
C7H15O5P            (Mass of molecular ion:    210)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.2
      19.0       1.5
      26.0       2.8
      27.0      21.8
      28.0       7.7
      29.0      71.6
      30.0       1.7
      31.0       8.9
      43.0       6.5
      44.0       1.8
      45.0      16.1
      47.0       5.9
      59.0       3.2
      65.0      25.8
      66.0       1.3
      73.0       2.4
      81.0      72.8
      82.0      45.9
      83.0      20.9
      91.0      20.8
      92.0       3.0
      93.0      11.3
      94.0       2.8
      99.0      14.0
     109.0     100.0
     110.0      14.2
     111.0      38.2
     112.0       1.1
     122.0       2.1
     125.0       5.6
     126.0       1.6
     127.0      15.6
     137.0      46.3
     138.0      15.5
     139.0      10.3
     153.0       1.8
     154.0       1.4
     155.0       8.2
     166.0       1.8
     183.0       1.1
     210.0       2.3

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₅ O₅ P	0.05 ml : 0.5 ml CDCl₃
ethyl (diethoxyphosphoryl)formate

    Assign.     Shift(ppm)

      A             4.323
      B             4.267
      C             1.394
      D             1.358
     
     400MHZ : HSP-43-319
     J(P-31,A)=1.2HZ
     J(A,D)=7.2HZ
     J(P-31,D)=1.5HZ
     J(B,C)=J(P-31,B)=7HZ
     J(P-31,C)=0.7HZ

     Hz     ppm     Int.

    398.44   4.449    167
    397.38   4.438     79
    391.31   4.370    558
    390.06   4.356    324
    384.19   4.290    609
    383.00   4.277    568
    380.06   4.244     62
    379.56   4.239     61
    377.13   4.211    251
    375.94   4.198    453
    372.69   4.162     34
    369.00   4.121    135
    132.06   1.475    525
    131.50   1.469    480
    128.94   1.440    281
    127.44   1.423    301
    125.06   1.397   1000
    124.44   1.390    930
    121.88   1.361    492
    120.38   1.345    476
    117.94   1.317    486
    117.38   1.311    440
    114.69   1.281    223
    113.25   1.265    202

¹H NMR	399.65 MHz
C₇ H₁₅ O₅ P	0.05 ml : 0.5 ml CDCl₃
ethyl (diethoxyphosphoryl)formate

    Assign.     Shift(ppm)

      A             4.334
      B             4.30
      C             1.404
      D             1.370

     Hz     ppm     Int.

   1744.14   4.365     96
   1742.92   4.362     97
   1736.94   4.347    287
   1735.72   4.344    274
   1733.64   4.338    170
   1729.86   4.329    290
   1728.64   4.326    289
   1726.56   4.321    448
   1722.66   4.311    119
   1721.44   4.308    125
   1719.48   4.303    488
   1718.38   4.300    410
   1712.40   4.285    219
   1711.30   4.282    407
   1708.13   4.275     32
   1704.22   4.265    162
    568.73   1.424    627
    567.99   1.422    565
    565.43   1.415     48
    561.65   1.406   1000
    560.91   1.404    876
    554.57   1.388    646
    553.83   1.386    637
    552.61   1.383    329
    547.00   1.369    506
    545.53   1.366    493
    539.79   1.351    268
    538.33   1.348    274

in CDCl3