PHENYLPHOSPHONIC ACID DIMETHYL ESTER(2240-41-7) IR1
Product NamePHENYLPHOSPHONIC ACID DIMETHYL ESTER
CAS2240-41-7
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
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MassMS-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
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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
CCl4 solution
liquid film
4880 A,150M,liquid
