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Back ChemicalBook Home>CAS DataBase List>2240-41-7More Spectrum> PHENYLPHOSPHONIC ACID DIMETHYL ESTER(2240-41-7) 13C NMR

PHENYLPHOSPHONIC ACID DIMETHYL ESTER(2240-41-7) 13C NMR

Molecular FormulaC8H11O3P

Molecular Weight186.14

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

InChIKey OXDOANYFRLHSML-UHFFFAOYSA-N

SmilesC1=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
    ChemicalStructure
        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



CCl4 solution



liquid film



4880 A,150M,liquid



PHENYLPHOSPHONIC ACID DIMETHYL ESTER(2240-41-7) 13C NMR Atlas of Related Products

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