二甲基(氯甲基)丙烯酯(3167-63-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:二甲基(氯甲基)丙烯酯

CAS:3167-63-3

分子式:C5H12ClO3P

分子量: 186.57

InChI:InChI=1S/C5H12ClO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3

InChIKey: MZBIWKMCTWJLPT-UHFFFAOYSA-N

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

Mass

MS-NW-9952          
diethyl chloromethylphosphonate
C5H12ClO3P          (Mass of molecular ion:    186)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.9
      18.0       1.4
      26.0       2.2
      27.0      14.7
      28.0       9.7
      29.0      36.4
      30.0       1.0
      31.0       8.1
      36.0       1.0
      41.0       1.1
      42.0       1.0
      43.0       5.3
      44.0       1.1
      45.0      20.4
      47.0       8.1
      48.0       3.8
      49.0      11.4
      51.0       3.6
      65.0      20.2
      77.0       1.7
      78.0       2.4
      81.0      76.8
      83.0       7.8
      85.0       2.4
      91.0      31.7
      92.0       1.1
      93.0      14.5
      95.0       3.1
     109.0     100.0
     110.0       2.5
     112.0       1.4
     113.0      24.9
     114.0       3.4
     115.0       8.5
     116.0       1.0
     130.0       7.0
     131.0      42.4
     132.0       2.9
     133.0      13.7
     137.0      37.5
     138.0       1.8
     141.0      11.8
     142.0       5.9
     143.0       9.6
     144.0       2.0
     145.0       2.0
     157.0       5.6
     158.0       5.9
     159.0      67.7
     160.0       4.3
     161.0      21.5
     171.0       3.2
     173.0       1.0
     186.0       5.1
     187.0       2.5
     188.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₂ Cl O₃ P	0.05 ml : 0.5 ml CDCl₃
diethyl chloromethylphosphonate

    Assign.     Shift(ppm)

      A             4.221
      B             3.367
      C             1.379
     
     J(A,P-31)=8.2HZ
     J(A,C)=7.2HZ
     J(B,P-31)=10.5HZ
     J(C,P-31)=0.5HZ

     Hz     ppm     Int.

    393.06   4.389    110
    385.88   4.309    346
    384.88   4.298    141
    382.88   4.276     37
    378.81   4.230    399
    377.63   4.217    352
    374.75   4.185     36
    371.81   4.152    180
    370.56   4.138    353
    363.63   4.061    123
    324.81   3.627    562
    314.31   3.510    563
    130.44   1.457    528
    123.44   1.379   1000
    122.94   1.373    922
    116.31   1.299    473

in CDCl3