2,2-二氯-1,1-二乙氧基乙烷(619-33-0)紅外圖譜(IR1)
分子式:C6H12Cl2O2
分子量: 187.06
InChI:InChI=1S/C6H12Cl2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3
InChIKey: CDHLQZJRWKQATP-UHFFFAOYSA-N
Smiles:C(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
|
 |
Assign. Shift(ppm)
A 5.596
B 4.616
C *1 3.78
D *1 3.71
E 1.271
|
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
|
|
Parameter ppm Hz
D(A) 1.212
D(B) *1 3.719
D(C) *1 3.657
J(A,B) 7.06
J(A,C) 7.06
J(B,C) -9.40
D(D) 4.559
D(E) 5.596
J(D,E) 5.84
RATTET,L.S. & GOLDSTEIN,J.H. ORG.MAGN.RESON. 1, 229 (1969)
|
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