Chloroacetaldehyde diethyl acetal(621-62-5) 1H NMR
Product NameChloroacetaldehyde diethyl acetal
CAS621-62-5
Molecular FormulaC6H13ClO2
Molecular Weight152.62
InChIInChI=1S/C6H13ClO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
InChIKey OVXJWSYBABKZMD-UHFFFAOYSA-N
SmilesC(OCC)(OCC)CCl
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MassMS-NW-1033 chloroacetaldehyde diethyl acetal C6H13ClO2 (Mass of molecular ion: 152)
Source Temperature: 240 °C Sample Temperature: 130 °C Reservoir, 75 eV
14.0 1.5 15.0 8.1 18.0 2.4 19.0 4.3 26.0 3.2 27.0 22.3 28.0 5.5 29.0 52.4 30.0 1.3 31.0 18.7 32.0 1.2 41.0 1.0 42.0 4.4 43.0 20.9 44.0 6.4 45.0 16.4 46.0 2.2 47.0 94.6 48.0 1.1 49.0 4.9 50.0 3.3 51.0 1.7 52.0 1.0 61.0 1.8 71.0 1.3 72.0 1.4 75.0 52.7 76.0 1.7 77.0 1.8 78.0 10.4 79.0 100.0 80.0 5.3 81.0 32.0 95.0 2.1 103.0 73.7 104.0 4.2 106.0 3.1 107.0 50.0 108.0 3.2 109.0 15.8
400 MHz in CDCl3
parameter neat
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1H NMR 399.65 MHz C6 H13 Cl O2 0.05 ml : 0.5 ml CDCl3 chloroacetaldehyde diethyl acetal 
Assign. Shift(ppm)
A 4.629 B *1 3.710 C *1 3.592 D 3.508 E 1.237
Hz ppm Int.1855.47 4.643 107 1849.98 4.630 211 1844.60 4.616 113 1499.15 3.752 49 1492.07 3.734 147 1489.75 3.728 75 1484.99 3.716 155 1482.67 3.710 210 1477.91 3.699 61 1475.59 3.693 210 1468.63 3.675 73 1450.32 3.629 69 1443.24 3.612 202 1440.92 3.606 53 1436.16 3.594 206 1433.96 3.589 147 1429.20 3.577 80 1426.88 3.571 148 1419.80 3.553 52 1404.79 3.516 463 1399.29 3.502 471 501.46 1.255 608 498.90 1.249 31 494.38 1.238 1000 487.30 1.220 619
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1H NMR 300 MHz C6 H13 Cl O2 neat chloroacetaldehyde diethyl acetal Parameter ppm Hz
D(A) 1.170 D(B) *1 3.640 D(C) *1 3.527 J(A,B) 7.04 J(A,C) 7.04 J(B,C) -9.39 D(D) 4.564 D(E) 3.437 J(D,E) 5.48 RATTET,L.S. & GOLDSTEIN,J.H. ORG.MAGN.RESON. 1, 229 (1969)
Hz ppm Int.1374.74 4.582 81 1369.25 4.564 165 1363.79 4.546 87 1107.95 3.693 30 1100.92 3.670 91 1098.61 3.662 55 1093.86 3.646 96 1091.51 3.638 158 1086.79 3.623 37 1084.48 3.615 159 1077.42 3.591 55 1072.80 3.576 53 1065.73 3.552 156 1063.39 3.545 35 1058.70 3.529 161 1056.36 3.521 94 1051.67 3.506 58 1049.30 3.498 93 1042.27 3.474 33 1033.82 3.446 337 1028.36 3.428 326 358.02 1.193 501 350.99 1.170 1000 343.96 1.147 485
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
