36969-89-8

(2-氧代庚基)膦酸二甲酯(36969-89-8)Raman光谱

产品名称:(2-氧代庚基)膦酸二甲酯

CAS:36969-89-8

分子式:C9H19O4P

分子量: 222.22

InChI:InChI=1S/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3

InChIKey: LQZCYXCHWNQBKX-UHFFFAOYSA-N

Smiles:P(CC(=O)CCCCC)(=O)(OC)OC

Mass

MS-NW-5433          
dimethyl (2-oxoheptyl)phosphonate
C9H19O4P            (Mass of molecular ion:    222)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0      13.3
      18.0       1.3
      27.0      11.5
      28.0       4.0
      29.0      12.7
      31.0       2.7
      39.0       7.3
      40.0       2.1
      41.0      14.8
      42.0       8.0
      43.0      23.3
      45.0       3.3
      47.0       5.3
      49.0       1.0
      53.0       4.7
      54.0       1.2
      55.0       7.6
      56.0       1.3
      57.0       1.1
      58.0       1.9
      62.0       2.0
      63.0       3.0
      67.0       1.9
      69.0       1.5
      70.0       1.3
      71.0       6.4
      77.0       1.2
      78.0       1.7
      79.0      22.4
      80.0       1.7
      81.0       1.1
      92.0       3.0
      93.0       5.4
      94.0      41.6
      95.0       4.0
      97.0       1.2
      99.0       3.3
     105.0       1.4
     108.0       1.0
     109.0      52.9
     110.0      10.5
     111.0       5.8
     112.0       1.3
     119.0       8.8
     124.0     100.0
     125.0       5.7
     126.0       1.0
     127.0       2.9
     135.0       2.0
     137.0       3.5
     138.0      13.1
     147.0       6.7
     151.0      88.9
     152.0       4.6
     153.0       1.2
     161.0       1.1
     165.0       3.1
     166.0      51.1
     167.0       5.7
     179.0      39.8
     180.0       7.5
     193.0       6.5
     222.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₉ O₄ P	0.04 ml : 0.5 ml CDCl₃
dimethyl (2-oxoheptyl)phosphonate

    Assign.     Shift(ppm)

      A             3.79
      B             3.08
      C             2.60
      D             1.59
      E          1.47 to 1.06
      F             0.89
     
     J(P-31,A)=11.2HZ. J(P-31,B)=22.7HZ.

     Hz     ppm     Int.

    344.63   3.849    997
    333.44   3.724   1000
    287.31   3.209    251
    264.56   2.954    251
    240.56   2.687     64
    233.75   2.610    153
    226.50   2.530    113
    149.75   1.673     41
    148.63   1.660     41
    142.06   1.587     67
    135.56   1.514     53
    134.19   1.499     61
    127.94   1.429     46
    127.00   1.419     51
    121.00   1.352    136
    116.13   1.297    138
    114.31   1.277    150
    111.19   1.242    102
    107.69   1.203     66
     84.94   0.949     95
     79.56   0.889    243
     73.50   0.821     69

in CDCl3