4-丙基吡啶(1122-81-2)质谱(MS)
InChI:InChI=1S/C8H11N/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3
InChIKey: JAWZAONCXMJLFT-UHFFFAOYSA-N
Smiles:C1=NC=CC(CCC)=C1
-
Mass
MS-NW-1017
4-propylpyridine
C8H11N (Mass of molecular ion: 121)
Source Temperature: 260 °C
Sample Temperature: 130 °C
Reservoir, 75 eV
18.0 1.3
26.0 2.2
27.0 8.5
28.0 3.2
29.0 8.9
37.0 1.1
38.0 3.1
39.0 22.4
40.0 2.8
41.0 6.2
42.0 2.1
43.0 2.4
50.0 5.3
51.0 13.0
52.0 9.0
53.0 3.7
54.0 3.4
57.0 1.1
62.0 1.5
63.0 4.4
64.0 2.6
65.0 25.8
66.0 8.5
67.0 4.0
77.0 5.8
78.0 5.2
79.0 11.7
80.0 3.6
91.0 3.8
92.0 50.2
93.0 100.0
94.0 8.6
104.0 1.6
106.0 43.7
107.0 5.0
118.0 1.9
120.0 9.8
121.0 95.0
122.0 8.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR |
89.56 MHz |
C8 H11 N
|
0.04 ml : 0.5 ml CDCl3
|
4-propylpyridine
|
|
Assign. Shift(ppm)
A 8.483
B 7.098
C 2.571
D 1.67
E 0.95
|
Hz ppm Int.
762.82 8.518 497
761.23 8.500 310
758.42 8.469 323
756.84 8.451 566
638.55 7.130 494
636.96 7.113 292
634.16 7.081 295
632.57 7.064 451
238.65 2.665 196
231.57 2.586 393
223.63 2.497 310
159.67 1.783 168
153.32 1.712 185
152.71 1.706 185
151.98 1.697 199
151.37 1.691 146
146.12 1.632 175
144.41 1.613 241
137.21 1.533 183
91.55 1.023 584
84.72 0.946 1000
77.15 0.862 342
76.17 0.851 191
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1H NMR |
399.65 MHz |
C8 H11 N
|
14.5 mg : 0.5 ml CDCl3
|
4-propylpyridine
|
|
Assign. Shift(ppm)
A 8.483
B 7.102
C 2.581
D 1.661
E 0.950
|
Hz ppm Int.
3393.31 8.491 577
3391.72 8.487 362
3388.92 8.480 381
3387.21 8.476 601
3381.96 8.463 30
2841.19 7.110 608
2840.58 7.108 390
2839.60 7.106 374
2838.99 7.104 226
2836.79 7.099 402
2835.21 7.095 598
1039.18 2.601 169
1031.74 2.582 218
1023.93 2.563 184
682.98 1.709 43
675.54 1.691 147
674.44 1.688 32
668.09 1.672 208
666.99 1.669 83
661.74 1.656 86
660.52 1.653 237
654.42 1.638 37
652.95 1.634 151
645.75 1.616 47
386.84 0.968 484
379.52 0.950 1000
377.20 0.944 43
372.19 0.932 437