Tris(2-chloroethyl) phosphate(115-96-8) Raman
Product NameTris(2-chloroethyl) phosphate
CAS115-96-8
Molecular FormulaC6H12Cl3O4P
Molecular Weight285.49
InChIInChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
InChIKey HQUQLFOMPYWACS-UHFFFAOYSA-N
SmilesP(=O)(OCCCl)(OCCCl)OCCCl
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MassMS-NW-1768 tris(2-chloroethyl) phosphate C6H12Cl3O4P (Mass of molecular ion: 284)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.1 18.0 2.1 26.0 6.7 27.0 84.9 28.0 10.9 29.0 5.5 30.0 1.0 31.0 6.1 36.0 1.4 42.0 2.5 43.0 6.1 44.0 3.2 45.0 10.5 47.0 6.3 48.0 1.1 49.0 12.0 50.0 1.2 51.0 3.9 57.0 1.1 61.0 2.3 62.0 18.9 63.0 100.0 64.0 8.5 65.0 32.7 77.0 2.7 79.0 1.1 81.0 12.7 93.0 4.9 99.0 24.0 107.0 1.8 117.0 13.6 119.0 4.5 125.0 14.5 126.0 1.1 135.0 1.0 143.0 25.1 145.0 8.3 151.0 1.7 161.0 7.2 163.0 2.5 187.0 7.6 189.0 2.4 205.0 18.5 207.0 12.0 209.0 2.0 223.0 12.5 225.0 8.0 227.0 1.3 235.0 5.0 237.0 3.2 249.0 36.3 250.0 2.5 251.0 23.3 252.0 1.6 253.0 4.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 Cl3 O4 P 0.02 ml : 0.5 ml CDCl3 tris(2-chloroethyl) phosphate 
Assign. Shift(ppm)
A 4.33 B 3.74 J(P-31,A)=8.1HZ
Hz ppm Int.398.50 4.450 298 397.94 4.444 303 392.88 4.387 729 391.81 4.375 350 391.25 4.369 214 390.56 4.361 319 389.94 4.354 309 387.19 4.324 475 386.81 4.320 459 384.81 4.297 685 383.75 4.285 348 383.13 4.278 194 379.25 4.235 460 378.75 4.230 450 340.69 3.805 452 340.25 3.800 523 339.69 3.793 546 339.19 3.788 519 336.19 3.754 180 335.63 3.748 342 334.63 3.737 1000 333.63 3.726 800 329.50 3.680 318 328.88 3.673 374 328.56 3.669 372 327.88 3.662 307
in CDCl3
CCl4 solution
liquid film
