二乙二醇二丁醚(112-73-2)Raman光譜
InChI:InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3
InChIKey: KZVBBTZJMSWGTK-UHFFFAOYSA-N
Smiles:O(CCOCCCC)CCOCCCC
-
Mass
MS-NW-8489
diethylene glycol dibutyl ether
C12H26O3 (Mass of molecular ion: 218)
Source Temperature: 250 °C
Sample Temperature: 140 °C
Reservoir, 75 eV
15.0 1.3
27.0 6.7
28.0 7.1
29.0 31.4
30.0 1.5
31.0 3.5
39.0 3.0
41.0 32.8
42.0 2.5
43.0 6.9
44.0 6.3
45.0 51.8
46.0 1.2
55.0 7.3
56.0 30.6
57.0 100.0
58.0 5.4
59.0 15.7
60.0 1.1
61.0 1.0
63.0 1.0
69.0 2.1
71.0 4.7
72.0 6.8
73.0 5.1
75.0 23.8
83.0 1.4
85.0 14.8
86.0 1.0
87.0 10.6
88.0 1.2
89.0 4.2
100.0 11.7
101.0 12.1
103.0 2.0
117.0 1.7
131.0 3.1
144.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C12 H26 O3
|
0.05 ml : 0.5 ml CDCl3
|
| diethylene glycol dibutyl ether
|
 |
Assign. Shift(ppm)
A *1 3.647
B *1 3.587
C 3.464
D 1.568
E 1.370
F 0.915
90MHZ : HSP-02-815
|
Hz ppm Int.
1463.87 3.663 194
1462.89 3.661 208
1459.23 3.652 408
1458.62 3.650 326
1456.79 3.646 333
1453.98 3.639 353
1452.64 3.635 319
1447.63 3.623 36
1446.78 3.621 36
1444.70 3.615 37
1444.09 3.614 37
1438.72 3.600 278
1437.38 3.597 358
1434.57 3.590 326
1432.86 3.586 280
1432.01 3.584 454
1428.47 3.575 187
1427.49 3.572 208
1391.24 3.482 390
1384.40 3.465 692
1377.81 3.448 402
640.75 1.604 75
638.79 1.599 34
634.64 1.588 175
633.79 1.586 213
631.47 1.581 103
627.93 1.572 197
627.08 1.570 245
624.76 1.564 185
619.14 1.550 231
612.30 1.533 108
565.31 1.415 65
559.81 1.401 53
557.86 1.396 177
552.37 1.383 113
550.17 1.377 242
544.92 1.364 118
542.48 1.358 252
537.60 1.346 62
535.28 1.340 164
528.08 1.322 56
378.05 0.946 43
375.61 0.940 73
373.17 0.934 578
368.41 0.922 120
365.84 0.916 1000
360.96 0.904 81
358.40 0.897 525
353.52 0.885 43
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| 1H NMR |
89.56 MHz |
| C12 H26 O3
|
0.04 ml : 0.5 ml CDCl3
|
| diethylene glycol dibutyl ether
|
|
Assign. Shift(ppm)
A 3.77 to 3.43
B 3.46
C 1.54
D 1.36
E 0.92
|
Hz ppm Int.
334.44 3.735 50
332.81 3.717 44
330.94 3.696 106
327.88 3.662 225
325.56 3.636 490
324.13 3.620 1000
323.38 3.611 989
321.88 3.595 529
319.56 3.569 249
316.63 3.536 287
315.25 3.520 109
313.00 3.495 87
310.19 3.464 664
303.81 3.393 310
147.75 1.650 69
146.56 1.637 64
145.56 1.626 60
144.69 1.616 46
144.50 1.614 46
141.38 1.579 139
140.56 1.570 134
138.94 1.552 118
137.06 1.531 129
134.94 1.507 218
133.81 1.495 168
132.31 1.478 147
131.50 1.469 176
130.94 1.463 168
129.69 1.449 137
127.75 1.427 126
125.88 1.406 142
124.13 1.386 119
122.13 1.364 52
120.44 1.345 125
118.94 1.329 66
117.31 1.310 129
115.13 1.286 59
114.19 1.276 59
111.06 1.241 94
109.50 1.223 50
104.50 1.167 46
89.31 0.998 185
88.50 0.989 325
84.31 0.942 60
81.88 0.915 773
80.25 0.897 199
77.19 0.862 68
75.75 0.846 116
74.44 0.832 134
72.38 0.809 75