Triethyl phosphonoacetate (867-13-0) 1H NMR
Product NameTriethyl phosphonoacetate
CAS867-13-0
Molecular FormulaC8H17O5P
Molecular Weight224.19
InChIInChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
InChIKey GGUBFICZYGKNTD-UHFFFAOYSA-N
SmilesC(OCC)(=O)CP(OCC)(OCC)=O
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MassMS-NW-4979 ethyl (diethylphosphono)acetate C8H17O5P (Mass of molecular ion: 224)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.0 15.0 6.3 18.0 2.3 19.0 1.6 26.0 6.4 27.0 27.8 28.0 13.2 29.0 51.7 30.0 1.2 31.0 15.8 41.0 2.0 42.0 27.9 43.0 17.1 44.0 2.2 45.0 18.4 46.0 1.2 47.0 6.0 48.0 2.4 49.0 1.3 54.0 1.1 55.0 1.7 59.0 4.3 60.0 10.4 61.0 8.2 65.0 17.9 70.0 6.2 73.0 1.2 78.0 8.6 79.0 3.6 80.0 7.2 81.0 34.0 82.0 2.5 83.0 1.1 88.0 52.6 89.0 2.8 91.0 8.2 93.0 5.7 95.0 4.1 96.0 11.3 97.0 19.1 99.0 12.5 105.0 14.8 106.0 7.4 107.0 1.9 108.0 7.0 109.0 53.7 110.0 2.0 111.0 1.5 121.0 2.1 122.0 12.3 123.0 100.0 124.0 6.9 125.0 22.1 126.0 1.3 127.0 7.5 134.0 1.3 135.0 1.1 137.0 18.4 138.0 1.8 141.0 8.9 149.0 2.3 150.0 3.0 151.0 68.8 152.0 45.5 153.0 3.5 154.0 1.3 155.0 5.7 169.0 30.9 170.0 1.5 179.0 73.9 180.0 14.2 181.0 1.6 197.0 81.3 198.0 6.1 199.0 1.2 224.0 5.7 225.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H17 O5 P 0.05 ml : 0.5 ml CDCl3 ethyl (diethylphosphono)acetate 
Assign. Shift(ppm)
A 4.19 B 2.972 C 1.356 D 1.295
Hz ppm Int.1692.50 4.235 112 1692.02 4.234 113 1690.19 4.230 44 1687.13 4.222 127 1685.30 4.217 307 1684.81 4.216 303 1680.05 4.204 290 1679.08 4.202 352 1678.10 4.199 406 1674.68 4.191 67 1672.97 4.187 296 1671.88 4.184 407 1671.02 4.182 422 1665.77 4.169 137 1664.55 4.166 329 1663.94 4.164 328 1660.89 4.156 41 1657.47 4.148 118 1656.98 4.147 120 1198.85 3.000 522 1177.37 2.947 531 556.76 1.394 32 549.56 1.376 569 549.07 1.374 562 542.48 1.358 928 541.87 1.356 1000 535.40 1.340 567 534.91 1.339 592 530.40 1.328 40 528.56 1.323 49 524.90 1.314 460 521.61 1.306 46 517.70 1.296 829 513.43 1.285 39 510.50 1.278 459
in CDCl3
CCl4 solution
liquid film
