13674-87-8

磷酸三(1,3-二氯異丙基)酯(13674-87-8)核磁圖(¹HNMR)

產(chǎn)品名稱:磷酸三(1,3-二氯異丙基)酯

CAS:13674-87-8

分子式:C9H15Cl6O4P

分子量: 430.9

InChI:InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2

InChIKey: ASLWPAWFJZFCKF-UHFFFAOYSA-N

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

Mass

MS-NW-1628          
tris(2-chloro-1-(chloromethyl)ethyl) phosphate
C9H15Cl6O4P         (Mass of molecular ion:    428)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       2.9
      27.0       7.6
      28.0       1.2
      29.0       2.6
      31.0       3.9
      36.0       3.3
      38.0       1.3
      39.0      25.2
      40.0       3.2
      41.0      21.1
      42.0       1.7
      43.0       6.7
      44.0       1.5
      47.0       2.2
      49.0      28.4
      50.0       1.1
      51.0       8.9
      55.0       1.0
      57.0      12.5
      61.0       2.0
      62.0       1.9
      63.0       1.4
      65.0       1.7
      73.0       1.3
      74.0       1.0
      75.0     100.0
      76.0       5.9
      77.0      32.0
      78.0       2.3
      79.0       4.6
      81.0       6.7
      83.0       3.0
      85.0       1.6
      91.0       1.5
      93.0       1.9
      99.0      77.0
     109.0       1.3
     110.0       2.9
     111.0      12.4
     112.0       2.2
     113.0       7.7
     115.0       1.3
     117.0       4.2
     119.0       1.7
     123.0       2.0
     125.0       1.2
     135.0       1.4
     137.0       5.8
     141.0       1.0
     155.0      20.1
     157.0       6.6
     159.0      10.5
     161.0       3.4
     173.0       4.8
     175.0       1.8
     191.0      54.7
     192.0       2.0
     193.0      35.3
     194.0       1.3
     195.0       6.0
     209.0      37.0
     210.0       1.4
     211.0      24.6
     213.0       4.1
     233.0       1.3
     269.0       3.4
     271.0       3.4
     273.0       1.1
     301.0       6.5
     303.0       8.1
     305.0       3.6
     319.0      12.3
     321.0      16.1
     322.0       1.2
     323.0       8.3
     325.0       1.8
     379.0       9.3
     381.0      15.7
     382.0       1.4
     383.0      10.3
     385.0       2.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₅ Cl₆ O₄ P	0.031 g : 0.5 ml CDCl₃
tris(2-chloro-1-(chloromethyl)ethyl) phosphate

    Assign.     Shift(ppm)

      A             4.810
      B             3.858
     
     J(A,P-31)=8.1HZ

     Hz     ppm     Int.

    440.31   4.917     70
    437.25   4.883     38
    435.25   4.860    120
    432.19   4.826     83
    430.19   4.804     95
    427.13   4.770    115
    425.31   4.749     43
    422.06   4.713     84
    417.13   4.658     27
    348.00   3.886   1000
    342.88   3.829    864

in CDCl3