Dimethyl 2-hydroxyethylphosphonate(54731-72-5) 13C NMR
Product NameDimethyl 2-hydroxyethylphosphonate
CAS54731-72-5
Molecular FormulaC4H11O4P
Molecular Weight154.1
InChIInChI=1S/C4H11O4P/c1-7-9(6,8-2)4-3-5/h5H,3-4H2,1-2H3
InChIKey TZPPDWDHNIMTDQ-UHFFFAOYSA-N
SmilesP(CCO)(=O)(OC)OC
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MassMS-IW-9184 dimethyl (2-hydroxyethyl)phosphonate C4H11O4P (Mass of molecular ion: 154)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.1 15.0 26.4 18.0 3.2 19.0 1.0 26.0 3.9 27.0 10.0 28.0 18.3 29.0 14.1 30.0 2.7 31.0 23.0 32.0 6.3 33.0 2.8 41.0 1.2 42.0 3.4 43.0 10.0 44.0 4.2 45.0 8.1 47.0 22.9 48.0 3.5 49.0 3.3 59.0 1.1 61.0 1.6 62.0 5.9 63.0 6.2 65.0 8.4 66.0 3.0 77.0 3.9 78.0 2.4 79.0 94.4 80.0 31.3 81.0 4.2 82.0 1.0 91.0 2.1 92.0 4.1 93.0 13.1 94.0 72.9 95.0 62.5 96.0 8.3 105.0 5.9 106.0 2.3 109.0 33.3 110.0 85.4 111.0 3.7 121.0 7.1 123.0 1.9 124.0 100.0 125.0 4.0 127.0 5.4 135.0 2.1 137.0 4.9 138.0 1.0 153.0 17.4 154.0 1.1 155.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H11 O4 P 0.05 ml : 0.5 ml CDCl3 dimethyl (2-hydroxyethyl)phosphonate 
Assign. Shift(ppm)
A 4.31 B 3.858 C 3.755 D 2.104
Hz ppm Int.1720.21 4.305 59 1556.76 3.896 120 1549.80 3.878 227 1542.72 3.861 132 1541.14 3.857 122 1534.06 3.839 225 1527.10 3.822 120 1517.46 3.797 23 1506.23 3.769 1000 1501.22 3.757 32 1495.24 3.742 974 856.81 2.144 120 849.73 2.127 222 842.77 2.109 117 838.75 2.099 120 831.79 2.082 221 824.71 2.064 110
in CDCl3
liquid film
