20345-62-4

4-膦酰丁烯酸三乙脂(20345-62-4)核磁图(¹HNMR)

产品名称:4-膦酰丁烯酸三乙脂

CAS:20345-62-4

分子式:C10H19O5P

分子量: 250.23

InChI:InChI=1S/C10H19O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h5H,6-8H2,1-4H3

InChIKey: LKGVVQTVNFFWAT-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5697          
ethyl 4-(diethoxyphosphoryl)crotonate
C10H19O5P           (Mass of molecular ion:    250)

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

      15.0       1.7
      18.0       3.1
      26.0       2.1
      27.0      14.6
      28.0       3.5
      29.0      39.8
      30.0       1.0
      31.0       3.0
      38.0       1.4
      39.0      15.9
      40.0       8.0
      41.0       7.3
      42.0       2.6
      43.0       3.2
      45.0       6.0
      47.0       3.6
      55.0       3.2
      57.0      10.0
      65.0       8.8
      67.0       1.7
      68.0     100.0
      69.0       6.5
      78.0       1.1
      80.0       1.4
      81.0      29.2
      82.0       3.1
      83.0       1.8
      84.0       1.4
      85.0       6.8
      86.0      11.7
      91.0       7.5
      92.0       1.0
      93.0       2.9
      95.0       1.1
      96.0       2.9
      97.0       7.2
      99.0      14.9
     103.0       5.0
     104.0       2.4
     109.0      41.1
     110.0       2.6
     111.0       2.8
     112.0       2.9
     113.0       3.4
     114.0       3.7
     119.0       1.1
     120.0      10.0
     121.0      16.8
     122.0       7.9
     123.0       1.4
     124.0       4.0
     125.0       3.5
     127.0      13.4
     131.0       9.4
     135.0       3.1
     137.0       5.8
     138.0       2.9
     140.0       2.5
     141.0       3.0
     142.0       1.0
     148.0      10.7
     149.0      41.2
     150.0       5.1
     151.0       1.8
     152.0       1.4
     155.0      22.4
     156.0       1.1
     163.0       6.2
     165.0       1.3
     175.0       2.3
     176.0      12.0
     177.0      40.1
     178.0      10.9
     179.0       1.6
     183.0      10.6
     203.0       1.3
     204.0      13.3
     205.0      21.9
     206.0       5.9
     207.0       1.3
     222.0       1.6
     223.0       1.9
     249.0       1.1
     250.0      16.9
     251.0       2.5

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₉ O₅ P	0.04 ml : 0.5 ml CDCl₃
ethyl 4-(diethoxyphosphoryl)crotonate

    Assign.     Shift(ppm)

      A             6.888
      B             5.973
      C             4.19
      D     *1      4.13
      E     *1      4.12
      F             2.742
      G             1.333
      J             1.289

     Hz     ppm     Int.

    628.13   7.014     48
    620.81   6.932     66
    620.38   6.927     54
    613.13   6.847     68
    612.56   6.840     68
    605.25   6.759     72
    543.63   6.071     78
    540.13   6.031     42
    538.75   6.016     83
    528.00   5.896     53
    523.19   5.842     54
    386.88   4.320     78
    384.75   4.297     81
    384.38   4.292     80
    379.69   4.240    253
    377.50   4.216    291
    376.38   4.203    149
    374.25   4.179     60
    372.56   4.160    272
    370.31   4.135    370
    369.13   4.122    349
    367.19   4.100     61
    365.50   4.082     99
    363.38   4.058    147
    362.00   4.042    358
    361.19   4.033     84
    359.25   4.012     42
    355.06   3.965    112
    261.75   2.923     95
    260.44   2.908     99
    253.94   2.836     95
    252.63   2.821     98
    238.88   2.668    100
    237.50   2.652    103
    231.06   2.580     89
    229.75   2.566     97
    126.50   1.413    502
    122.63   1.370    354
    119.56   1.335    968
    119.13   1.331   1000
    115.56   1.291    757
    112.38   1.255    450
    108.38   1.211    300

¹H NMR	399.65 MHz
C₁₀ H₁₉ O₅ P	0.05 ml : 0.5 ml CDCl₃
ethyl 4-(diethoxyphosphoryl)crotonate

    Assign.     Shift(ppm)

      A             6.880
      B             5.976
      C             4.197
      D     *1      4.14
      E     *1      4.12
      F             2.768
      G             1.337
      J             1.293
     
     J(A,B)=15.5HZ, J(A,F)=7.8HZ, J(A,P-31)=7.4HZ, J(B,F)=1.4HZ,
     J(B,P-31)=5.0HZ, J(F,P-31)=23.0HZ, J(G,P-31)=0.5HZ
     D AND E WERE CONFIRMED BY LAOCN PROGRAM.
     90MHZ : HSP-03-790

     Hz     ppm     Int.

   2769.41   6.930     35
   2761.60   6.911     89
   2754.15   6.892    102
   2745.97   6.871    108
   2738.65   6.853     95
   2730.83   6.834     41
   2400.02   6.006     43
   2398.56   6.002     93
   2397.22   5.999     47
   2395.02   5.993     46
   2393.55   5.990     93
   2392.21   5.986     46
   2384.40   5.967     45
   2383.06   5.963     89
   2381.59   5.960     44
   2379.39   5.954     42
   2378.05   5.951     88
   2376.71   5.947     46
   1688.48   4.225    130
   1685.06   4.217     39
   1681.40   4.208    361
   1677.98   4.199     80
   1674.19   4.190    366
   1671.51   4.183     73
   1670.90   4.181     85
   1668.58   4.176    103
   1667.11   4.172    153
   1666.02   4.169    110
   1664.43   4.165     73
   1663.09   4.162     69
   1661.50   4.158    244
   1660.03   4.154    122
   1658.94   4.151    242
   1657.84   4.149    123
   1655.88   4.144     94
   1654.42   4.140    275
   1652.95   4.136    263
   1651.86   4.134    261
   1650.76   4.131    257
   1648.68   4.126    102
   1647.34   4.122    156
   1645.87   4.119    256
   1644.90   4.116    138
   1643.80   4.114    243
   1641.72   4.108     71
   1640.50   4.105     87
   1639.40   4.103     68
   1638.79   4.101    102
   1636.72   4.096     96
   1634.64   4.091     30
   1633.54   4.088     49
   1121.83   2.808    133
   1120.48   2.804    136
   1114.01   2.788    135
   1112.55   2.784    135
   1098.88   2.750    132
   1097.53   2.747    137
   1091.06   2.731    131
   1089.60   2.727    133
    550.66   1.378     38
    547.97   1.372     50
    545.53   1.366     72
    541.87   1.356    591
    541.38   1.355    593
    538.45   1.348    110
    537.48   1.345    113
    534.79   1.339    972
    534.30   1.337   1000
    531.98   1.332    122
    527.71   1.321    575
    527.22   1.320    603
    523.80   1.311    472
    516.72   1.293    810
    512.82   1.284     39
    509.52   1.275    447

in CDCl3

liquid film

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