4-CHLOROPHENYL PHOSPHORODICHLORIDATE(772-79-2) 1H NMR
Product Name4-CHLOROPHENYL PHOSPHORODICHLORIDATE
CAS772-79-2
Molecular FormulaC6H4Cl3O2P
Molecular Weight245.43
InChIInChI=1S/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
InChIKey CCZMQYGSXWZFKI-UHFFFAOYSA-N
SmilesP(Cl)(Cl)(OC1=CC=C(Cl)C=C1)=O
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MassMS-IW-0239 p-chlorophenyl dichlorophosphate C6H4Cl3O2P (Mass of molecular ion: 244)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.5 36.0 1.4 37.0 1.5 38.0 3.7 39.0 2.7 47.0 5.9 49.0 1.5 50.0 4.9 51.0 2.1 61.0 1.8 62.0 3.6 63.0 11.9 64.0 3.8 72.0 1.0 73.0 11.2 74.0 5.1 75.0 18.0 76.0 2.2 85.0 1.1 91.0 1.3 92.0 1.2 98.0 1.1 99.0 42.0 100.0 2.8 101.0 13.3 110.0 7.3 111.0 6.0 112.0 2.7 113.0 1.9 117.0 3.6 119.0 2.3 126.0 1.3 127.0 75.3 128.0 6.4 129.0 25.4 130.0 2.0 139.0 1.1 146.0 1.7 148.0 1.0 173.0 11.9 174.0 2.4 175.0 4.0 208.0 71.1 209.0 11.4 210.0 46.9 211.0 7.7 212.0 8.1 213.0 1.3 244.0 100.0 245.0 6.8 246.0 98.3 247.0 6.7 248.0 31.4 249.0 2.1 250.0 3.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 Cl3 O2 P 0.05 ml : 0.5 ml CDCl3 p-chlorophenyl dichlorophosphate 
Assign. Shift(ppm)
A 7.394 B 7.253
Hz ppm Int.2964.23 7.418 98 2963.13 7.415 113 2960.94 7.409 660 2959.84 7.407 706 2958.74 7.404 336 2957.64 7.401 295 2954.22 7.393 312 2953.13 7.390 365 2951.78 7.386 931 2950.68 7.384 945 2948.61 7.378 195 2947.51 7.376 165 2906.98 7.274 135 2903.81 7.266 849 2901.61 7.261 1000 2899.29 7.255 323 2896.97 7.249 281 2894.65 7.243 812 2892.46 7.238 688 2889.16 7.230 101
in CDCl3
liquid film
