Methyl diethylphosphonoacetate(1067-74-9) IR1
Product NameMethyl diethylphosphonoacetate
CAS1067-74-9
Molecular FormulaC7H15O5P
Molecular Weight210.16
InChIInChI=1S/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3
InChIKey CTSAXXHOGZNKJR-UHFFFAOYSA-N
SmilesC(OC)(=O)CP(OCC)(OCC)=O
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MassMS-NW-5628 methyl diethylphosphonoacetate C7H15O5P (Mass of molecular ion: 210)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.4 15.0 15.1 18.0 1.0 26.0 3.3 27.0 19.7 28.0 5.9 29.0 31.8 30.0 1.1 31.0 12.0 33.0 1.9 41.0 1.5 42.0 32.3 43.0 30.2 44.0 2.7 45.0 16.2 47.0 9.8 48.0 3.2 49.0 1.7 55.0 1.4 59.0 2.9 60.0 1.2 61.0 1.5 65.0 20.4 74.0 56.0 75.0 5.4 77.0 1.8 78.0 7.7 79.0 7.5 80.0 4.1 81.0 32.0 82.0 2.0 88.0 4.7 91.0 8.6 92.0 2.0 93.0 14.0 94.0 1.6 95.0 41.1 96.0 9.4 97.0 7.5 99.0 2.7 105.0 14.2 106.0 5.5 107.0 3.0 108.0 2.2 109.0 42.1 110.0 3.0 111.0 3.6 113.0 4.9 119.0 3.8 121.0 3.3 122.0 11.1 123.0 84.5 124.0 7.2 125.0 6.0 127.0 2.1 137.0 48.1 138.0 7.0 139.0 2.3 141.0 1.9 149.0 2.5 150.0 3.0 151.0 39.4 152.0 9.1 153.0 4.7 154.0 1.2 155.0 44.9 156.0 1.7 165.0 23.4 166.0 15.4 167.0 2.5 169.0 9.4 179.0 32.4 180.0 3.5 181.0 4.1 182.0 2.2 183.0 100.0 184.0 6.4 185.0 1.6 197.0 7.6 210.0 5.2
parameter in CDCl3
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1H NMR 300 MHz C7 H15 O5 P 0.04 ml : 0.5 ml CDCl3 methyl diethylphosphonoacetate 
Parameter ppm Hz
D(A) 4.174 D(B) 1.353 J(A,B) 7.06 J(A,P-31) 8.30 J(B,P-31) 0.50 D(C) 3.748 D(D) 2.977 J(C,D) 0.0 J(C,P-31) 0.63 J(D,P-31) 21.56
Hz ppm Int.1267.00 4.223 113 1259.95 4.200 348 1258.67 4.196 146 1252.87 4.176 376 1251.62 4.172 375 1245.79 4.153 149 1244.57 4.149 354 1237.52 4.125 119 1124.68 3.749 886 1124.14 3.747 886 903.89 3.013 461 882.36 2.941 461 412.81 1.376 491 406.00 1.353 1000 398.93 1.330 501
in CDCl3
liquid film
4880 A,200 M,liquid
