4-NITROPHENYL PHOSPHORODICHLORIDATE(777-52-6) 13C NMR
Product Name4-NITROPHENYL PHOSPHORODICHLORIDATE
CAS777-52-6
Molecular FormulaC6H4Cl2NO4P
Molecular Weight255.98
InChIInChI=1S/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H
InChIKey NCPBESHYZRJICR-UHFFFAOYSA-N
SmilesP(Cl)(Cl)(OC1=CC=C([N+]([O-])=O)C=C1)=O
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MassMS-NW-7471 p-nitrophenyl phosphorodichloridate C6H4Cl2NO4P (Mass of molecular ion: 255)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 2.8 26.0 2.8 28.0 4.9 30.0 21.6 36.0 3.1 37.0 3.1 38.0 14.2 39.0 2.6 47.0 13.5 50.0 14.8 51.0 5.3 52.0 4.6 53.0 2.6 54.0 2.3 61.0 3.1 62.0 9.4 63.0 40.9 64.0 28.5 65.0 1.7 73.0 1.5 74.0 10.2 75.0 100.0 76.0 13.4 79.0 3.6 80.0 3.3 83.0 1.4 91.0 1.7 92.0 17.0 93.0 1.2 99.0 15.7 101.0 5.3 103.0 3.4 107.0 4.1 108.0 1.3 111.0 8.1 113.0 2.4 117.0 24.1 119.0 15.1 121.0 2.4 122.0 2.6 127.0 21.9 128.0 1.6 129.0 7.0 139.0 2.3 173.0 1.3 174.0 5.8 176.0 1.9 181.0 4.8 183.0 3.0 197.0 8.1 199.0 5.9 201.0 1.0 209.0 16.8 210.0 1.4 211.0 11.3 213.0 1.9 220.0 6.3 222.0 2.1 225.0 43.3 226.0 2.9 227.0 28.1 228.0 2.0 229.0 4.9 239.0 2.5 241.0 1.6 255.0 53.8 256.0 4.1 257.0 34.4 258.0 2.5 259.0 6.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 Cl2 N O4 P 0.036 g : 0.5 ml CDCl3 p-nitrophenyl phosphorodichloridate 
Assign. Shift(ppm)
A 8.353 B 7.514
Hz ppm Int.3346.92 8.375 108 3345.83 8.372 130 3343.63 8.367 833 3342.65 8.364 876 3341.55 8.362 383 3340.45 8.359 306 3338.50 8.354 78 3336.67 8.349 304 3335.57 8.347 374 3334.47 8.344 926 3333.37 8.341 912 3331.18 8.336 138 3330.08 8.333 110 3011.72 7.536 113 3009.64 7.531 170 3008.42 7.528 876 3006.47 7.523 1000 3004.27 7.518 297 3001.34 7.510 287 2999.27 7.505 950 2997.31 7.500 825 2995.97 7.497 166 2994.02 7.492 94
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1H NMR 89.56 MHz C6 H4 Cl2 N O4 P 0.045 g : 0.5 ml CDCl3 p-nitrophenyl phosphorodichloridate Assign. Shift(ppm)
A 8.35 B 7.51
Hz ppm Int.753.13 8.410 789 752.06 8.398 774 750.75 8.383 342 749.75 8.372 319 746.06 8.331 393 745.00 8.319 478 743.69 8.304 1000 742.63 8.292 867 679.13 7.583 299 677.88 7.570 964 676.00 7.549 990 673.63 7.522 321 670.81 7.491 378 668.88 7.469 740 668.50 7.465 788 666.56 7.443 692
in CDCl3
KBr disc
nujol mull
