二氯磷酸苯酯(770-12-7)核磁圖(¹HNMR)

產(chǎn)品名稱:二氯磷酸苯酯

CAS:770-12-7

分子式:C6H5Cl2O2P

分子量: 210.98

InChI:InChI=1S/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H

InChIKey: TXFOLHZMICYNRM-UHFFFAOYSA-N

Smiles:P(Cl)(Cl)(OC1=CC=CC=C1)=O

Mass

MS-NW-5120          
phenyl dichlorophosphate
C6H5Cl2O2P          (Mass of molecular ion:    210)

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

      26.0       1.8
      27.0       5.2
      28.0       2.9
      29.0       8.3
      35.0       1.8
      36.0       6.5
      37.0       3.1
      38.0       9.2
      39.0      37.0
      40.0       1.3
      47.0      12.6
      49.0       1.0
      50.0      12.8
      51.0      17.9
      52.0       1.3
      53.0       2.1
      61.0       1.7
      62.0       3.7
      63.0      11.2
      64.0       6.5
      65.0      61.9
      66.0       3.9
      74.0       3.3
      75.0       4.5
      76.0      30.5
      77.0      35.7
      78.0       2.7
      81.0       3.5
      82.0       1.3
      92.0       5.5
      93.0      21.6
      94.0       3.0
     100.0       2.0
     109.0       5.2
     111.0       1.2
     112.0       3.3
     114.0       1.1
     117.0      10.5
     119.0       6.9
     121.0       1.2
     128.0       2.6
     130.0       1.0
     139.0      26.4
     140.0       4.7
     146.0       1.5
     152.0       2.1
     154.0       2.1
     156.0       1.0
     169.0       1.2
     170.0       1.9
     174.0     100.0
     175.0      18.3
     176.0      33.9
     177.0       6.1
     182.0       2.8
     184.0       1.9
     210.0      97.6
     211.0       7.2
     212.0      62.7
     213.0       4.4
     214.0      10.5
     232.0       1.4
     267.0       1.9
     268.0       4.7
     269.0       1.3
     270.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl₂ O₂ P	0.04 ml : 0.5 ml CDCl₃
phenyl dichlorophosphate

    Assign.     Shift(ppm)

      A          7.36 to 7.31

     Hz     ppm     Int.

    665.19   7.428    170
    664.06   7.415    234
    663.31   7.407    198
    662.50   7.398    234
    659.56   7.365   1000
    658.38   7.352    551
    656.75   7.334    758
    654.81   7.312    626
    653.50   7.297    271
    652.69   7.288    280
    651.25   7.272    246
    650.50   7.264    212
    648.69   7.244    199
    647.88   7.235    179

in CDCl3