Diethyl chlorophosphate(814-49-3) Raman
Product NameDiethyl chlorophosphate
CAS814-49-3
Molecular FormulaC4H10ClO3P
Molecular Weight172.55
InChIInChI=1S/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
InChIKey LGTLXDJOAJDFLR-UHFFFAOYSA-N
SmilesP(Cl)(OCC)(OCC)=O
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MassMS-KW-0098 diethyl chlorophosphate C4H10ClO3P (Mass of molecular ion: 172)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.9 26.0 4.0 27.0 17.1 28.0 12.0 29.0 29.5 30.0 1.3 31.0 16.6 36.0 1.8 42.0 1.0 43.0 6.8 44.0 2.7 45.0 31.5 47.0 5.4 63.0 2.2 64.0 3.8 65.0 8.6 66.0 1.2 81.0 21.9 83.0 1.2 91.0 7.4 93.0 1.3 99.0 13.9 100.0 28.4 101.0 9.1 102.0 9.4 103.0 1.6 109.0 15.9 117.0 100.0 119.0 33.2 127.0 6.9 128.0 10.2 129.0 31.4 130.0 3.7 131.0 10.7 135.0 1.0 137.0 2.9 143.0 9.3 144.0 2.2 145.0 66.9 146.0 2.3 147.0 21.2 157.0 1.9 161.0 1.6 173.0 2.2 179.0 2.1 180.0 1.2 197.0 1.9 225.0 1.1 253.0 1.1 263.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H10 Cl O3 P 0.05 ml : 0.5 ml CDCl3 diethyl chlorophosphate 
Assign. Shift(ppm)
A 4.282 B 1.419
Hz ppm Int.1732.30 4.335 69 1729.37 4.328 106 1725.22 4.317 87 1723.51 4.313 134 1722.29 4.310 274 1719.97 4.304 118 1718.14 4.300 68 1716.43 4.295 284 1715.21 4.292 290 1714.23 4.290 163 1712.89 4.286 270 1711.30 4.282 62 1710.82 4.281 61 1709.35 4.278 268 1708.01 4.274 156 1707.15 4.272 281 1705.69 4.268 280 1704.22 4.265 73 1702.39 4.260 114 1700.07 4.254 259 1698.73 4.251 129 1697.02 4.247 86 1692.99 4.237 97 1689.94 4.229 69 574.95 1.439 633 573.73 1.436 605 571.29 1.430 98 567.87 1.421 1000 566.65 1.418 968 562.50 1.408 100 560.79 1.404 581 559.57 1.401 593
in CDCl3
liquid film
