DIETHYL 2-BROMOETHYLPHOSPHONATE(5324-30-1) IR1
Product NameDIETHYL 2-BROMOETHYLPHOSPHONATE
CAS5324-30-1
Molecular FormulaC6H14BrO3P
Molecular Weight245.05
InChIInChI=1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3
InChIKey PINITSMLVXAASM-UHFFFAOYSA-N
SmilesP(CCBr)(=O)(OCC)OCC
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MassMS-IW-0075 diethyl (2-bromoethyl)phosphonate C6H14BrO3P (Mass of molecular ion: 244)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.2 18.0 1.0 26.0 2.7 27.0 25.5 28.0 12.7 29.0 28.4 31.0 2.3 41.0 1.1 43.0 6.2 44.0 1.7 45.0 21.0 47.0 7.6 55.0 1.1 65.0 26.3 80.0 1.1 81.0 53.2 82.0 31.1 83.0 13.0 91.0 41.1 92.0 3.8 93.0 22.8 94.0 2.1 106.0 1.8 107.0 4.9 108.0 2.7 109.0 98.2 110.0 25.4 111.0 38.0 112.0 1.0 119.0 1.0 121.0 1.1 136.0 1.1 137.0 47.6 138.0 100.0 139.0 5.4 143.0 13.5 144.0 5.2 145.0 13.3 146.0 4.8 161.0 3.5 163.0 3.2 165.0 95.4 166.0 7.4 171.0 29.2 172.0 5.0 173.0 29.2 174.0 4.9 188.0 4.6 189.0 36.0 190.0 5.4 191.0 34.9 199.0 7.1 200.0 1.3 201.0 7.2 202.0 1.2 215.0 1.4 216.0 2.2 217.0 18.0 218.0 2.9 219.0 16.4 245.0 3.7 247.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H14 Br O3 P 0.05 ml : 0.5 ml CDCl3 diethyl (2-bromoethyl)phosphonate 
Assign. Shift(ppm)
A 4.126 B 3.537 C 2.393 D 1.340
Hz ppm Int.1666.87 4.171 75 1661.62 4.158 110 1659.67 4.153 216 1658.33 4.150 90 1654.66 4.141 251 1653.69 4.138 135 1652.59 4.136 239 1651.25 4.132 245 1647.58 4.123 254 1646.61 4.121 260 1645.63 4.118 125 1644.17 4.115 267 1640.50 4.105 111 1639.53 4.103 237 1637.08 4.097 131 1636.47 4.095 98 1632.57 4.085 83 1426.51 3.570 165 1424.32 3.564 33 1419.56 3.553 98 1417.85 3.548 238 1416.38 3.545 107 1410.89 3.531 101 1409.55 3.527 233 1407.84 3.523 98 1401.00 3.506 165 974.00 2.438 161 967.16 2.421 83 965.82 2.417 94 965.09 2.415 101 964.11 2.413 88 957.15 2.395 155 955.32 2.391 168 953.37 2.386 32 948.49 2.374 81 947.27 2.371 94 946.53 2.369 99 945.43 2.366 91 938.48 2.349 152 543.46 1.360 641 543.09 1.359 644 536.38 1.343 988 536.01 1.342 1000 529.30 1.325 591 528.93 1.324 642
in CDCl3
liquid film
