2240-41-7

苯基膦酸二甲酯(2240-41-7)质谱(MS)

产品名称:苯基膦酸二甲酯

CAS:2240-41-7

分子式:C8H11O3P

分子量: 186.14

InChI:InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey: OXDOANYFRLHSML-UHFFFAOYSA-N

Smiles:C1=CC=C(P(=O)(OC)OC)C=C1

Mass

MS-NW-1077          
dimethyl phenylphosphonate
C8H11O3P            (Mass of molecular ion:    186)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0      13.0
      17.0       1.8
      18.0      10.1
      27.0       3.3
      28.0       6.0
      29.0       2.5
      31.0       1.9
      32.0       1.4
      38.0       1.4
      39.0       6.4
      47.0      13.3
      49.0       1.1
      50.0      14.9
      51.0      44.5
      52.0       3.4
      62.0       1.0
      63.0       5.7
      64.0       1.3
      65.0       5.7
      74.0       4.3
      75.0       3.9
      76.0       5.3
      77.0      81.0
      78.0      55.9
      79.0      30.7
      90.0       1.7
      91.0     100.0
      92.0      14.4
      93.0      16.8
      95.0       1.3
     104.0       7.0
     105.0       4.4
     107.0       1.0
     108.0       2.3
     109.0       6.2
     124.0       2.7
     125.0       1.7
     126.0       1.5
     140.0       1.8
     141.0      60.8
     142.0       4.7
     153.0       6.2
     154.0       2.4
     155.0      28.3
     156.0      41.1
     157.0       3.3
     171.0       2.9
     185.0      86.1
     186.0      77.8
     187.0       7.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ O₃ P	0.04 ml : 0.5 ml CDCl₃
dimethyl phenylphosphonate

    Assign.     Shift(ppm)

      A             7.80
      B          7.63 to 7.33
      C             3.758
     
     J(P-31,C)=11.1HZ

     Hz     ppm     Int.

    710.88   7.938     30
    708.88   7.916     33
    701.19   7.830     48
    696.00   7.772     30
    690.38   7.709     32
    688.13   7.684     47
    676.81   7.558     57
    675.19   7.539     68
    673.00   7.515     77
    672.50   7.509     73
    671.63   7.500     37
    670.63   7.489     43
    669.63   7.477     32
    669.19   7.472     31
    342.13   3.821    993
    331.06   3.697   1000

in CDCl3