Product Name2,2-Dichloro-1,1-diethoxyethane
CAS619-33-0
Molecular FormulaC6H12Cl2O2
Molecular Weight187.06
InChIInChI=1S/C6H12Cl2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3
InChIKey CDHLQZJRWKQATP-UHFFFAOYSA-N
SmilesC(Cl)(Cl)C(OCC)OCC
Mass
MS-NW-1284 dichloroacetaldehyde diethyl acetal C6H12Cl2O2 (Mass of molecular ion: 186)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 3.3 19.0 4.8 26.0 2.6 27.0 20.4 28.0 4.1 29.0 64.8 30.0 1.5 31.0 11.4 41.0 1.7 42.0 2.3 43.0 3.8 45.0 9.9 47.0 100.0 48.0 2.0 49.0 7.2 51.0 2.3 59.0 2.1 61.0 1.2 63.0 2.0 65.0 1.2 75.0 62.7 76.0 2.2 77.0 7.0 78.0 6.6 79.0 2.7 80.0 2.2 83.0 2.2 85.0 1.4 103.0 44.2 104.0 2.5 112.0 1.2 113.0 32.3 114.0 1.3 115.0 21.0 117.0 3.3 141.0 17.4 143.0 11.0 145.0 1.7
90 MHz in CDCl3
parameter neat
1H NMR | 89.56 MHz |
C6 H12 Cl2 O2 | 0.04 ml : 0.5 ml CDCl3 |
dichloroacetaldehyde diethyl acetal |
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Assign. Shift(ppm) |
Hz ppm Int.
504.00 5.628 247 498.69 5.569 275 415.94 4.645 180 410.63 4.585 161 349.38 3.902 23 347.31 3.878 71 344.81 3.851 70 342.25 3.822 30 340.13 3.798 198 337.81 3.772 204 335.44 3.746 26 333.00 3.719 212 330.88 3.695 214 328.56 3.669 34 325.94 3.640 84 324.00 3.618 84 321.50 3.590 28 120.63 1.347 502 113.63 1.269 1000 106.56 1.190 433
1H NMR | 300 MHz |
C6 H12 Cl2 O2 | neat |
dichloroacetaldehyde diethyl acetal |
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Parameter ppm Hz |
Hz ppm Int.
1681.76 5.606 164 1675.94 5.586 170 1370.58 4.569 170 1364.80 4.549 164 1132.18 3.774 23 1125.12 3.750 69 1122.81 3.743 62 1118.03 3.727 74 1115.72 3.719 181 1111.26 3.704 79 1108.66 3.696 185 1104.24 3.681 180 1101.65 3.672 81 1097.23 3.657 184 1094.88 3.650 73 1090.18 3.634 65 1087.82 3.626 71 1080.81 3.603 24 370.65 1.235 505 363.59 1.212 1000 356.54 1.188 487
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
2,2-Dichloro-1,1-diethoxyethane(619-33-0) 13C NMR Atlas of Related Products
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