N-丁基乙基硫醚(638-46-0)質(zhì)譜(MS)
InChI:InChI=1S/C6H14S/c1-3-5-6-7-4-2/h3-6H2,1-2H3
InChIKey: XJIRSLHMKBUGMR-UHFFFAOYSA-N
Smiles:C(SCC)CCC
-
Mass
MS-NW-1480
butyl ethyl sulfide
C6H14S (Mass of molecular ion: 118)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 1.0
18.0 1.0
26.0 3.3
27.0 35.6
28.0 9.4
29.0 49.5
30.0 1.2
34.0 1.2
35.0 9.2
39.0 10.9
40.0 2.0
41.0 49.1
42.0 3.6
43.0 4.3
45.0 11.8
46.0 11.8
47.0 47.9
48.0 6.4
49.0 2.4
53.0 1.9
54.0 1.0
55.0 16.9
56.0 68.2
57.0 17.1
58.0 3.1
59.0 5.7
60.0 6.1
61.0 37.5
62.0 47.0
63.0 19.6
64.0 2.4
66.0 1.4
75.0 100.0
76.0 8.3
77.0 4.8
89.0 24.6
90.0 2.8
91.0 1.3
94.0 1.0
103.0 1.9
118.0 56.4
119.0 4.4
120.0 2.7
122.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C6 H14 S
|
0.05 ml : 0.5 ml CDCl3
|
| butyl ethyl sulfide
|
 |
Assign. Shift(ppm)
A 2.530
B 2.527
C 1.569
D 1.416
E 1.255
F 0.922
|
Hz ppm Int.
1023.56 2.562 147
1016.11 2.543 522
1008.79 2.525 568
1001.10 2.505 287
642.70 1.609 50
642.09 1.607 45
636.11 1.592 97
635.50 1.591 114
634.16 1.587 62
632.93 1.584 66
629.03 1.574 82
628.17 1.572 159
625.12 1.565 66
621.09 1.555 120
620.24 1.552 116
618.53 1.548 58
618.04 1.547 55
613.04 1.534 68
612.43 1.533 63
583.13 1.460 47
576.05 1.442 114
570.68 1.428 51
570.07 1.427 55
568.85 1.424 135
568.12 1.422 135
563.35 1.410 51
562.74 1.409 53
561.52 1.406 104
560.42 1.403 137
553.34 1.385 83
546.26 1.367 31
508.42 1.273 569
505.62 1.266 31
501.10 1.254 1000
493.53 1.235 514
375.24 0.939 446
372.07 0.931 35
367.92 0.921 829
365.48 0.915 33
360.60 0.903 354
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| 1H NMR |
89.56 MHz |
| C6 H14 S
|
0.04 ml : 0.5 ml CDCl3
|
| butyl ethyl sulfide
|
|
Assign. Shift(ppm)
A 2.53
B 2.52
C 1.57
D 1.44
E 1.26
F 0.92
|
Hz ppm Int.
238.56 2.664 78
232.94 2.601 88
230.75 2.577 253
228.44 2.551 88
226.19 2.526 182
223.38 2.495 273
219.25 2.449 128
216.44 2.417 95
148.75 1.661 58
146.56 1.637 64
142.63 1.593 75
141.63 1.582 84
140.50 1.569 77
139.25 1.555 129
135.88 1.518 156
134.31 1.500 153
131.88 1.473 179
129.25 1.444 125
127.69 1.426 102
126.81 1.416 61
125.13 1.398 70
124.56 1.391 58
123.50 1.379 55
123.06 1.375 55
122.63 1.370 58
122.06 1.363 56
121.13 1.353 60
119.44 1.334 477
118.38 1.322 110
116.06 1.296 52
115.25 1.287 55
114.69 1.281 51
113.81 1.271 30
112.31 1.255 1000
109.63 1.225 40
109.31 1.221 40
104.69 1.169 335
88.88 0.993 196
88.13 0.985 167
85.69 0.957 55
84.19 0.941 54
82.31 0.920 483
79.88 0.892 129
77.69 0.868 47
77.13 0.862 46
76.06 0.850 71
74.94 0.837 89
73.13 0.817 52