Ethyl 3,3-Diethoxypropionate(10601-80-6) MS
Product NameEthyl 3,3-Diethoxypropionate
CAS10601-80-6
Molecular FormulaC9H18O4
Molecular Weight190.24
InChIInChI=1S/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3
InChIKey SIALOQYKFQEKOG-UHFFFAOYSA-N
SmilesC(OCC)(=O)CC(OCC)OCC
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MassMS-NW-9681 ethyl 3,3-diethoxypropionate C9H18O4 (Mass of molecular ion: 190)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 19.0 1.5 26.0 1.1 27.0 6.6 28.0 2.8 29.0 25.8 31.0 5.4 42.0 2.8 43.0 22.9 44.0 8.1 45.0 12.8 46.0 1.0 47.0 42.4 55.0 2.5 60.0 2.6 61.0 1.9 70.0 2.6 71.0 49.9 72.0 4.7 73.0 2.7 75.0 43.4 76.0 1.5 87.0 3.5 88.0 1.6 89.0 21.3 99.0 6.2 101.0 2.1 103.0 100.0 104.0 5.7 115.0 9.1 116.0 1.1 117.0 25.4 118.0 1.5 129.0 1.3 133.0 2.3 144.0 1.0 145.0 45.8 146.0 4.8 161.0 6.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H18 O4 0.05 ml : 0.5 ml CDCl3 ethyl 3,3-diethoxypropionate 
Assign. Shift(ppm)
A 4.956 B 4.156 C *1 3.679 D *1 3.556 E 2.653 F 1.266 G 1.197 J(C,D)=-9.3HZ J(G,C)=J(G,D)=7.1HZ
Hz ppm Int.1986.94 4.972 101 1980.96 4.957 210 1975.10 4.943 107 1672.00 4.184 110 1664.79 4.166 315 1657.71 4.148 322 1650.51 4.130 116 1486.69 3.720 45 1479.61 3.703 139 1477.42 3.697 70 1472.66 3.685 146 1470.34 3.680 202 1465.58 3.668 55 1463.26 3.662 205 1456.18 3.644 70 1435.91 3.593 63 1428.83 3.576 191 1426.51 3.570 53 1421.75 3.558 197 1419.43 3.552 149 1414.79 3.541 72 1412.35 3.534 146 1405.40 3.517 50 1063.48 2.662 386 1057.50 2.647 403 513.18 1.285 353 505.98 1.267 642 498.90 1.249 361 485.84 1.216 583 483.28 1.210 35 478.76 1.198 1000 471.68 1.181 634
in CDCl3
liquid film
