二乙二醇丁醚醋酸酯(124-17-4)質(zhì)譜(MS)
InChI:InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3
InChIKey: VXQBJTKSVGFQOL-UHFFFAOYSA-N
Smiles:C(OC(=O)C)COCCOCCCC
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Mass
MS-NW-8493
diethylene glycol monobutyl ether acetate
C10H20O4 (Mass of molecular ion: 204)
Source Temperature: 260 °C
Sample Temperature: 140 °C
Reservoir, 75 eV
15.0 5.5
19.0 1.1
27.0 8.6
28.0 10.8
29.0 29.9
30.0 1.9
31.0 5.1
39.0 3.4
41.0 30.8
42.0 4.4
43.0 93.0
44.0 10.0
45.0 35.2
55.0 4.9
56.0 22.3
57.0 100.0
58.0 8.2
59.0 5.7
60.0 1.6
61.0 8.5
70.0 1.7
71.0 5.0
72.0 11.9
73.0 7.8
74.0 3.4
75.0 7.5
85.0 7.6
86.0 2.8
87.0 62.9
88.0 5.8
89.0 6.4
100.0 5.1
101.0 6.1
104.0 1.2
117.0 1.0
131.0 1.1
132.0 1.3
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C10 H20 O4
|
0.05 ml : 0.5 ml CDCl3
|
| diethylene glycol monobutyl ether acetate
|
 |
Assign. Shift(ppm)
A 4.227
B 3.712
C *1 3.649
D *1 3.591
E 3.467
F 2.079
G 1.574
J 1.373
K 0.920
|
Hz ppm Int.
1694.34 4.240 190
1690.67 4.231 115
1689.58 4.228 195
1688.23 4.225 109
1684.69 4.216 201
1488.28 3.724 239
1485.47 3.717 92
1484.74 3.716 123
1483.40 3.712 218
1482.18 3.709 124
1481.57 3.708 94
1478.64 3.700 212
1464.60 3.665 92
1463.62 3.663 97
1460.21 3.654 218
1459.35 3.652 144
1457.52 3.647 160
1456.05 3.644 78
1454.96 3.641 167
1453.61 3.638 151
1439.82 3.603 153
1438.60 3.600 170
1437.50 3.597 82
1435.91 3.593 160
1434.08 3.589 137
1433.23 3.587 214
1429.81 3.578 90
1428.83 3.576 87
1392.46 3.485 195
1385.74 3.468 360
1379.03 3.451 193
834.23 2.088 61
830.81 2.079 1000
827.15 2.070 33
642.46 1.608 34
635.86 1.592 90
635.13 1.590 100
632.69 1.584 41
629.27 1.575 103
628.54 1.573 115
625.98 1.567 75
620.61 1.553 104
613.89 1.537 47
559.20 1.400 82
553.59 1.386 52
551.51 1.380 111
546.14 1.367 53
543.82 1.361 113
536.62 1.343 73
374.63 0.938 297
367.31 0.920 546
359.86 0.901 248
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| 1H NMR |
89.56 MHz |
| C10 H20 O4
|
0.04 ml : 0.5 ml CDCl3
|
| diethylene glycol monobutyl ether acetate
|
|
Assign. Shift(ppm)
A 4.23
B 3.70
C 3.62
D 3.47
E 2.074
F 1.57
G 1.35
J 0.92
|
Hz ppm Int.
383.50 4.283 67
378.94 4.232 90
377.13 4.211 53
376.56 4.205 40
373.88 4.175 121
336.38 3.756 136
333.81 3.728 57
333.13 3.720 77
331.63 3.703 105
331.25 3.699 108
330.69 3.693 101
330.00 3.685 61
328.13 3.664 73
327.06 3.652 98
326.63 3.648 109
326.19 3.643 97
325.50 3.635 152
324.19 3.620 280
323.50 3.613 291
322.19 3.598 164
321.56 3.591 92
319.56 3.569 64
316.94 3.539 80
315.63 3.525 32
310.56 3.468 188
304.13 3.396 87
185.81 2.075 1000
184.00 2.055 72
141.63 1.582 38
140.69 1.571 37
140.00 1.564 32
139.25 1.555 33
137.31 1.534 36
135.19 1.510 59
134.06 1.497 45
133.88 1.495 45
132.50 1.480 38
131.75 1.472 47
131.19 1.465 45
130.63 1.459 38
130.00 1.452 37
128.06 1.430 35
126.06 1.408 38
124.31 1.389 32
120.75 1.349 37
117.56 1.313 35
89.69 1.002 45
88.81 0.992 86
87.94 0.982 75
82.19 0.918 215
80.56 0.900 54
79.88 0.892 46
76.06 0.850 32
74.75 0.835 39